1
40
20
-
Text
A resource consisting primarily of words for reading. Examples include books, letters, dissertations, poems, newspapers, articles, archives of mailing lists. Note that facsimiles or images of texts are still of the genre Text.
URL Address
<a href="http://doi.org/10.1016/j.bmcl.2009.12.079" target="_blank" rel="noreferrer noopener">http://doi.org/10.1016/j.bmcl.2009.12.079</a>
Rights
Article information provided for research and reference use only. All rights are retained by the journal listed under publisher and/or the creator(s).
Pages
870-877
Issue
3
Volume
20
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Dublin Core
The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/.
Title
A name given to the resource
Predictive Screening Model For Potential Vector-mediated Transport Of Cationic Substrates At The Blood-brain Barrier Choline Transporter
Publisher
An entity responsible for making the resource available
Bioorganic & Medicinal Chemistry Letters
Date
A point or period of time associated with an event in the lifecycle of the resource
2010
2010-02
Subject
The topic of the resource
12-diyl-bis-3-picolinium dibromide; analogs; Carrier-mediated transport; central-nervous-system; Chemistry; Drug bioavailability; Drug screening; evoked dopamine; extracellular dopamine; high-affinity choline; molecular-field analysis; n; n'-dodecane-1; Nicotinic receptor antagonists; Nicotinic receptor antagonists; perfusion technique; Pharmacology & Pharmacy; Quaternary ammonium; quaternary ammonium analogs; rat; release; Smoking cessation; striatal synaptosomes
Creator
An entity primarily responsible for making the resource
Geldenhuys W J; Manda V K; Mittapalli R K; Van der Schyf C J; Crooks P A; Dwoskin L P; Allen D D; Lockman P R
Identifier
An unambiguous reference to the resource within a given context
<a href="http://doi.org/10.1016/j.bmcl.2009.12.079" target="_blank" rel="noreferrer noopener">10.1016/j.bmcl.2009.12.079</a>
Format
The file format, physical medium, or dimensions of the resource
Journal Article or Conference Abstract Publication
12-diyl-bis-3-picolinium dibromide
2010
Allen D D
analogs
Bioorganic & medicinal chemistry letters
carrier-mediated transport
central-nervous-system
Chemistry
Crooks P A
Drug bioavailability
Drug screening
Dwoskin L P
evoked dopamine
extracellular dopamine
Geldenhuys W J
high-affinity choline
Lockman P R
Manda V K
Mittapalli R K
molecular-field analysis
n
n'-dodecane-1
nicotinic receptor antagonists
perfusion technique
Pharmacology & Pharmacy
quaternary ammonium
quaternary ammonium analogs
rat
release
Smoking Cessation
striatal synaptosomes
Van der Schyf C J
-
Text
A resource consisting primarily of words for reading. Examples include books, letters, dissertations, poems, newspapers, articles, archives of mailing lists. Note that facsimiles or images of texts are still of the genre Text.
URL Address
<a href="http://doi.org/10.1016/j.bmcl.2010.04.098" target="_blank" rel="noreferrer noopener">http://doi.org/10.1016/j.bmcl.2010.04.098</a>
Rights
Article information provided for research and reference use only. All rights are retained by the journal listed under publisher and/or the creator(s).
Pages
3208-3210
Issue
11
Volume
20
Search for Full-text
Locate full-text within NEOMED Library's e-journal collections
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Dublin Core
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Title
A name given to the resource
Bis-azaaromatic quaternary ammonium salts as ligands for the blood-brain barrier choline transporter
Publisher
An entity responsible for making the resource available
Bioorganic & Medicinal Chemistry Letters
Date
A point or period of time associated with an event in the lifecycle of the resource
2010
2010-06
Subject
The topic of the resource
12-diyl-bis-3-picolinium dibromide; analogs; Bis-quaternary ammonium salts; Blood-brain barrier; Chemistry; Choline transporter; evoked dopamine release; extracellular dopamine; hyperactivity; mediated transport; n; n'-dodecane-1; nicotinic-receptor antagonist; nucleus-accumbens; Pharmacology & Pharmacy; rat; tobacco dependence; vector
Creator
An entity primarily responsible for making the resource
Zheng G R; Zhang Z F; Lockman P R; Geldenhuys W J; Allen D D; Dwoskin L P; Crooks P A
Description
An account of the resource
A series of bis-azaaromatic quaternary ammonium compounds containing flexible polymethylenic linkers as well as conformationally restricted linkers were evaluated for their affinity for the blood-brain barrier choline transporter (BBB-ChT). The preliminary structure-activity relationships obtained from this study suggest that incorporating a linear, conformationally restricted linker into the molecule improves affinity for the BBB-ChT. (C) 2010 Elsevier Ltd. All rights reserved.
Identifier
An unambiguous reference to the resource within a given context
<a href="http://doi.org/10.1016/j.bmcl.2010.04.098" target="_blank" rel="noreferrer noopener">10.1016/j.bmcl.2010.04.098</a>
Format
The file format, physical medium, or dimensions of the resource
Journal Article
12-diyl-bis-3-picolinium dibromide
2010
Allen D D
analogs
Bioorganic & medicinal chemistry letters
Bis-quaternary ammonium salts
Blood-brain barrier
Chemistry
Choline transporter
Crooks P A
Dwoskin L P
evoked dopamine release
extracellular dopamine
Geldenhuys W J
hyperactivity
Journal Article
Lockman P R
mediated transport
n
n'-dodecane-1
nicotinic-receptor antagonist
nucleus-accumbens
Pharmacology & Pharmacy
rat
tobacco dependence
vector
Zhang Z F
Zheng G R
-
Text
A resource consisting primarily of words for reading. Examples include books, letters, dissertations, poems, newspapers, articles, archives of mailing lists. Note that facsimiles or images of texts are still of the genre Text.
URL Address
<a href="http://doi.org/10.1016/j.bmcl.2008.08.099" target="_blank" rel="noreferrer noopener">http://doi.org/10.1016/j.bmcl.2008.08.099</a>
Rights
Article information provided for research and reference use only. All rights are retained by the journal listed under publisher and/or the creator(s).
Pages
5622-5625
Issue
20
Volume
18
Search for Full-text
Locate full-text within NEOMED Library's e-journal collections
<p>Users with a NEOMED Library login can search for full-text journal articles at the following url: <a href="https://libraryguides.neomed.edu/home">https://libraryguides.neomed.edu/home</a></p>
Dublin Core
The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/.
Title
A name given to the resource
bis-pyridinium cyclophanes: Novel ligands with high affinity for the blood-brain barrier choline transporter
Publisher
An entity responsible for making the resource available
Bioorganic & Medicinal Chemistry Letters
Date
A point or period of time associated with an event in the lifecycle of the resource
2008
2008-10
Subject
The topic of the resource
12-diyl-bis-3-picolinium dibromide; acetylcholine receptor; ammonium-salts; blood-brain barrier choline transporter; carrier-mediated transport; Chemistry; drug delivery; evoked dopamine release; extracellular dopamine; hyperactivity; inhibition; n; n-alkylnicotinium analogs; n'-dodecane-1; nicotinic; nicotinic receptor antagonists; Pharmacology & Pharmacy; quaternary; quaternary ammonium
Creator
An entity primarily responsible for making the resource
Zhang Z F; Lockman P R; Mittapalli R K; Allen D D; Dwoskin L P; Crooks P A
Description
An account of the resource
A series of bis-pyridinium cyclophane analogs designed as conformationally restricted bis-quaternary ammonium compounds were evaluated for their affinity for the blood-brain barrier (BBB) choline transporter. All the cyclophanes investigated exhibited high affinity compared to choline. Of these compounds, N, N'-(1,10-decanediyl)3,3'-(1,9-decadiyn-1,10-diyl)-bis-pyridinium diiodide (5c) and N, N'-(1,9-nonanediyl) 3,3'-(1,9-decadiyn-1,10-diyl)-bis-pyridinium dibromide (5b) exhibited highest affinity with K(i) values of 0.8 mu M and 1.4 mu M, respectively, and constitute some of the most potent BBB choline transporter ligands reported. (C) 2008 Elsevier Ltd. All rights reserved.
Identifier
An unambiguous reference to the resource within a given context
<a href="http://doi.org/10.1016/j.bmcl.2008.08.099" target="_blank" rel="noreferrer noopener">10.1016/j.bmcl.2008.08.099</a>
Format
The file format, physical medium, or dimensions of the resource
Journal Article
12-diyl-bis-3-picolinium dibromide
2008
acetylcholine receptor
Allen D D
ammonium-salts
Bioorganic & medicinal chemistry letters
blood-brain barrier choline transporter
carrier-mediated transport
Chemistry
Crooks P A
Drug delivery
Dwoskin L P
evoked dopamine release
extracellular dopamine
hyperactivity
inhibition
Journal Article
Lockman P R
Mittapalli R K
n
n-alkylnicotinium analogs
n'-dodecane-1
nicotinic
nicotinic receptor antagonists
Pharmacology & Pharmacy
quaternary
quaternary ammonium
Zhang Z F
-
Text
A resource consisting primarily of words for reading. Examples include books, letters, dissertations, poems, newspapers, articles, archives of mailing lists. Note that facsimiles or images of texts are still of the genre Text.
URL Address
<a href="http://doi.org/10.1016/j.bmcl.2018.03.061" target="_blank" rel="noreferrer noopener">http://doi.org/10.1016/j.bmcl.2018.03.061</a>
Pages
1937–1942
Issue
10
Volume
28
Dublin Core
The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/.
Title
A name given to the resource
Novel compounds that target lipoprotein lipase and mediate growth arrest in acute lymphoblastic leukemia.
Publisher
An entity responsible for making the resource available
Bioorganic & medicinal chemistry letters
Date
A point or period of time associated with an event in the lifecycle of the resource
2018
2018-06
Subject
The topic of the resource
*Acute lymphoblastic leukemia; *Cancer; *Co-culture model; *Lipids; *Lipoprotein lipase; *Metabolism; Amides/chemistry/metabolism/pharmacology; Antineoplastic Agents/*chemistry/metabolism/pharmacology; Binding Sites; Cell Line; Cell Proliferation/drug effects; Coculture Techniques; Dyslipidemias/complications/metabolism/pathology; Humans; Lipoprotein Lipase/antagonists & inhibitors/*metabolism; Mesenchymal Stem Cells/cytology/metabolism; Molecular Docking Simulation; Precursor Cell Lymphoblastic Leukemia-Lymphoma/complications/metabolism/pathology; Protein Binding; Protein Structure; Serum Albumin/chemistry/metabolism; Tertiary; Tumor
Creator
An entity primarily responsible for making the resource
Nair Rajesh R; Geldenhuys Werner J; Piktel Debbie; Sadana Prabodh; Gibson Laura F
Description
An account of the resource
Over the past decade, the therapeutic strategies employed to treat B-precursor acute lymphoblastic leukemia (ALL) have been progressively successful in treating the disease. Unfortunately, the treatment associated dyslipidemia, either acute or chronic, is very prevalent and a cause for decreased quality of life in the surviving patients. To overcome this hurdle, we tested a series of cylopropanecarboxamides, a family demonstrated to target lipid metabolism, for their anti-leukemic activity in ALL. Several of the compounds tested showed anti-proliferative activity, with one, compound 22, inhibiting both Philadelphia chromosome negative REH and Philadelphia chromosome positive SupB15 ALL cell division. The novel advantage of these compounds is the potential synergy with standard chemotherapeutic agents, while concomitantly blunting the emergence of dyslipidemia. Thus, the cylopropanecarboxamides represent a novel class of compounds that can be potentially used in combination with the present standard-of-care to limit treatment associated dyslipidemia in ALL patients.
Identifier
An unambiguous reference to the resource within a given context
<a href="http://doi.org/10.1016/j.bmcl.2018.03.061" target="_blank" rel="noreferrer noopener">10.1016/j.bmcl.2018.03.061</a>
Rights
Information about rights held in and over the resource
Article information provided for research and reference use only. All rights are retained by the journal listed under publisher and/or the creator(s).
*Acute lymphoblastic leukemia
*Cancer
*Co-culture model
*Lipids
*Lipoprotein lipase
*Metabolism
2018
Amides/chemistry/metabolism/pharmacology
Antineoplastic Agents/*chemistry/metabolism/pharmacology
Binding Sites
Bioorganic & medicinal chemistry letters
Cell Line
Cell Proliferation/drug effects
Coculture Techniques
Department of Pharmaceutical Sciences
Department of Pharmacy Practice
Dyslipidemias/complications/metabolism/pathology
Geldenhuys Werner J
Gibson Laura F
Humans
Lipoprotein Lipase/antagonists & inhibitors/*metabolism
Mesenchymal Stem Cells/cytology/metabolism
Molecular Docking Simulation
Nair Rajesh R
NEOMED College of Graduate Studies
NEOMED College of Pharmacy
Piktel Debbie
Precursor Cell Lymphoblastic Leukemia-Lymphoma/complications/metabolism/pathology
Protein Binding
Protein Structure
Sadana Prabodh
Serum Albumin/chemistry/metabolism
Tertiary
Tumor
-
Text
A resource consisting primarily of words for reading. Examples include books, letters, dissertations, poems, newspapers, articles, archives of mailing lists. Note that facsimiles or images of texts are still of the genre Text.
URL Address
<a href="http://doi.org/10.1016/j.bmcl.2017.02.068" target="_blank" rel="noreferrer noopener">http://doi.org/10.1016/j.bmcl.2017.02.068</a>
Pages
2029–2037
Issue
9
Volume
27
Dublin Core
The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/.
Title
A name given to the resource
High-content screen using zebrafish (Danio rerio) embryos identifies a novel kinase activator and inhibitor.
Publisher
An entity responsible for making the resource available
Bioorganic & medicinal chemistry letters
Date
A point or period of time associated with an event in the lifecycle of the resource
2017
2017-05
Subject
The topic of the resource
*Cancer; *Compound library; *Kinase; *Notochord; *Phenotypic screen; *Somites; *Zebrafish; Animals; Antineoplastic Agents/chemistry/pharmacology; Antitumor/methods; Benzoic Acid/chemistry/pharmacology; Death-Associated Protein Kinases/metabolism; Drug Discovery/*methods; Drug Screening Assays; Embryo; Enzyme Activation/drug effects; Enzyme Activators/*chemistry/*pharmacology; Neoplasms/drug therapy/enzymology; Nonmammalian/*drug effects/enzymology; Protein Kinase Inhibitors/*chemistry/*pharmacology; Protein-Serine-Threonine Kinases/antagonists & inhibitors/metabolism; Zebrafish Proteins/antagonists & inhibitors/metabolism; Zebrafish/*embryology
Creator
An entity primarily responsible for making the resource
Geldenhuys Werner J; Bergeron Sadie A; Mullins Jackie E; Aljammal Rowaa; Gaasch Briah L; Chen Wei-Chi; Yun June; Hazlehurst Lori A
Description
An account of the resource
In this report we utilized zebrafish (Danio rerio) embryos in a phenotypical high-content screen (HCS) to identify novel leads in a cancer drug discovery program. We initially validated our HCS model using the flavin adenosine dinucleotide (FAD) containing endoplasmic reticulum (ER) enzyme, endoplasmic reticulum oxidoreductase (ERO1) inhibitor EN460. EN460 showed a dose response effect on the embryos with a dose of 10muM being significantly lethal during early embryonic development. The HCS campaign which employed a small library identified a promising lead compound, a naphthyl-benzoic acid derivative coined compound 1 which had significant dosage and temporally dependent effects on notochord and muscle development in zebrafish embryos. Screening a 369 kinase member panel we show that compound 1 is a PIM3 kinase inhibitor (IC50=4.078muM) and surprisingly a DAPK1 kinase agonist/activator (EC50=39.525muM). To our knowledge this is the first example of a small molecule activating DAPK1 kinase. We provide a putative model for increased phosphate transfer in the ATP binding domain when compound 1 is virtually docked with DAPK1. Our data indicate that observable phenotypical changes can be used in future zebrafish screens to identify compounds acting via similar molecular signaling pathways.
Identifier
An unambiguous reference to the resource within a given context
<a href="http://doi.org/10.1016/j.bmcl.2017.02.068" target="_blank" rel="noreferrer noopener">10.1016/j.bmcl.2017.02.068</a>
Rights
Information about rights held in and over the resource
Article information provided for research and reference use only. All rights are retained by the journal listed under publisher and/or the creator(s).
*Cancer
*Compound library
*Kinase
*Notochord
*Phenotypic screen
*Somites
*Zebrafish
2017
Aljammal Rowaa
Animals
Antineoplastic Agents/chemistry/pharmacology
Antitumor/methods
Benzoic Acid/chemistry/pharmacology
Bergeron Sadie A
Bioorganic & medicinal chemistry letters
Chen Wei-Chi
Death-Associated Protein Kinases/metabolism
Department of Integrative Medical Sciences
Drug Discovery/*methods
Drug Screening Assays
Embryo
Enzyme Activation/drug effects
Enzyme Activators/*chemistry/*pharmacology
Gaasch Briah L
Geldenhuys Werner J
Hazlehurst Lori A
Mullins Jackie E
NEOMED College of Medicine
Neoplasms/drug therapy/enzymology
Nonmammalian/*drug effects/enzymology
Protein Kinase Inhibitors/*chemistry/*pharmacology
Protein-Serine-Threonine Kinases/antagonists & inhibitors/metabolism
Yun June
Zebrafish Proteins/antagonists & inhibitors/metabolism
Zebrafish/*embryology
-
Text
A resource consisting primarily of words for reading. Examples include books, letters, dissertations, poems, newspapers, articles, archives of mailing lists. Note that facsimiles or images of texts are still of the genre Text.
URL Address
<a href="http://doi.org/10.1016/j.bmcl.2016.11.053" target="_blank" rel="noreferrer noopener">http://doi.org/10.1016/j.bmcl.2016.11.053</a>
Pages
303–308
Issue
2
Volume
27
Dublin Core
The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/.
Title
A name given to the resource
Structure-activity and in vivo evaluation of a novel lipoprotein lipase (LPL) activator.
Publisher
An entity responsible for making the resource available
Bioorganic & medicinal chemistry letters
Date
A point or period of time associated with an event in the lifecycle of the resource
2017
2017-01
Subject
The topic of the resource
*Diabetes; *High-fat diet; *Homology modeling; *Hyperlipidemia; *Lipoprotein lipase; *Liver cirrhosis; *Obesity; Animals; Benzeneacetamides/chemical synthesis/chemistry/*pharmacology; Dose-Response Relationship; Drug; Imidazoles/chemical synthesis/chemistry/*pharmacology; Lipoprotein Lipase/*metabolism; Mice; Molecular Docking Simulation; Molecular Structure; Structure-Activity Relationship
Creator
An entity primarily responsible for making the resource
Geldenhuys Werner J; Caporoso Joel; Leeper Thomas C; Lee Yoon-Kwang; Lin Li; Darvesh Altaf S; Sadana Prabodh
Description
An account of the resource
Elevated triglycerides (TG) contribute towards increased risk for cardiovascular disease. Lipoprotein lipase (LPL) is an enzyme that is responsible for the metabolism of core triglycerides of very-low density lipoproteins (VLDL) and chylomicrons in the vasculature. In this study, we explored the structure-activity relationships of our lead compound (C10d) that we have previously identified as an LPL agonist. We found that the cyclopropyl moiety of C10d is not absolutely necessary for LPL activity. Several substitutions were found to result in loss of LPL activity. The compound C10d was also tested in vivo for its lipid lowering activity. Mice were fed a high-fat diet (HFD) for four months, and treated for one week at 10mg/kg. At this dose, C10d exhibited in vivo biological activity as indicated by lower TG and cholesterol levels as well as reduced body fat content as determined by ECHO-MRI. Furthermore, C10d also reduced the HFD induced fat accumulation in the liver. Our study has provided insights into the structural and functional characteristics of this novel LPL activator.
Identifier
An unambiguous reference to the resource within a given context
<a href="http://doi.org/10.1016/j.bmcl.2016.11.053" target="_blank" rel="noreferrer noopener">10.1016/j.bmcl.2016.11.053</a>
Rights
Information about rights held in and over the resource
Article information provided for research and reference use only. All rights are retained by the journal listed under publisher and/or the creator(s).
*Diabetes
*High-fat diet
*Homology modeling
*Hyperlipidemia
*Lipoprotein lipase
*Liver cirrhosis
*Obesity
2017
Animals
Benzeneacetamides/chemical synthesis/chemistry/*pharmacology
Bioorganic & medicinal chemistry letters
Caporoso Joel
Darvesh Altaf S
Department of Integrative Medical Sciences
Department of Pharmaceutical Sciences
Department of Pharmacy Practice
Dose-Response Relationship
Drug
Geldenhuys Werner J
Imidazoles/chemical synthesis/chemistry/*pharmacology
Lee Yoon-Kwang
Leeper Thomas C
Lin Li
Lipoprotein Lipase/*metabolism
Mice
Molecular Docking Simulation
Molecular Structure
NEOMED College of Graduate Studies
NEOMED College of Medicine
NEOMED College of Pharmacy
Sadana Prabodh
Structure-Activity Relationship
-
Text
A resource consisting primarily of words for reading. Examples include books, letters, dissertations, poems, newspapers, articles, archives of mailing lists. Note that facsimiles or images of texts are still of the genre Text.
URL Address
<a href="http://doi.org/10.1016/j.bmcl.2016.09.009" target="_blank" rel="noreferrer noopener">http://doi.org/10.1016/j.bmcl.2016.09.009</a>
Pages
5350–5353
Issue
21
Volume
26
Dublin Core
The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/.
Title
A name given to the resource
Identification of small molecules that bind to the mitochondrial protein mitoNEET.
Publisher
An entity responsible for making the resource available
Bioorganic & medicinal chemistry letters
Date
A point or period of time associated with an event in the lifecycle of the resource
2016
2016-11
Subject
The topic of the resource
*Bioenergetics; *Glitazones; *Mitochondria; *Small Molecule Libraries; *Type II diabetes; Hypoglycemic Agents/chemistry/metabolism; Ligands; Mitochondrial Proteins/*metabolism; Protein Binding; Thiazolidinediones/chemistry/metabolism
Creator
An entity primarily responsible for making the resource
Geldenhuys Werner J; Yonutas Heather M; Morris Daniel L; Sullivan Patrick G; Darvesh Altaf S; Leeper Thomas C
Description
An account of the resource
MitoNEET (CISD1) is a 2Fe-2S iron-sulfur cluster protein belonging to the zinc-finger protein family. Recently mitoNEET has been shown to be a major role player in the mitochondrial function associated with metabolic type diseases such as obesity and cancers. The anti-diabetic drug pioglitazone and rosiglitazone were the first identified ligands to mitoNEET. Since little is known about structural requirements for ligand binding to mitoNEET, we screened a small set of compounds to gain insight into these requirements. We found that the thiazolidinedione (TZD) warhead as seen in rosiglitazone was not an absolutely necessity for binding to mitoNEET. These results will aid in the development of novel compounds that can be used to treat mitochondrial dysfunction seen in several diseases.
Identifier
An unambiguous reference to the resource within a given context
<a href="http://doi.org/10.1016/j.bmcl.2016.09.009" target="_blank" rel="noreferrer noopener">10.1016/j.bmcl.2016.09.009</a>
Rights
Information about rights held in and over the resource
Article information provided for research and reference use only. All rights are retained by the journal listed under publisher and/or the creator(s).
*Bioenergetics
*Glitazones
*Mitochondria
*Small Molecule Libraries
*Type II diabetes
2016
Bioorganic & medicinal chemistry letters
Darvesh Altaf S
Department of Pharmaceutical Sciences
Geldenhuys Werner J
Hypoglycemic Agents/chemistry/metabolism
Leeper Thomas C
Ligands
Mitochondrial Proteins/*metabolism
Morris Daniel L
NEOMED College of Pharmacy
Protein Binding
Sullivan Patrick G
Thiazolidinediones/chemistry/metabolism
Yonutas Heather M
-
Text
A resource consisting primarily of words for reading. Examples include books, letters, dissertations, poems, newspapers, articles, archives of mailing lists. Note that facsimiles or images of texts are still of the genre Text.
URL Address
<a href="http://doi.org/10.1016/j.bmcl.2014.07.072" target="_blank" rel="noreferrer noopener">http://doi.org/10.1016/j.bmcl.2014.07.072</a>
Pages
4553–4556
Issue
18
Volume
24
Dublin Core
The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/.
Title
A name given to the resource
Screening and identification of novel compounds with potential anti-proliferative effects on gallium-resistant lung cancer through an AXL kinase pathway.
Publisher
An entity responsible for making the resource available
Bioorganic & medicinal chemistry letters
Date
A point or period of time associated with an event in the lifecycle of the resource
2014
2014-09
Subject
The topic of the resource
Antineoplastic Agents/chemical synthesis/chemistry/*pharmacology; Antitumor; AXL; Cell Line; Cell Proliferation/drug effects; Cell Survival/drug effects; Dose-Response Relationship; Drug; Drug Resistance; Drug Screening Assays; Gallium; Gallium-resistance; Gallium/pharmacology; Humans; Lung cancer; Lung Neoplasms/drug therapy/*enzymology/*pathology; Molecular Structure; Naphthalenes/chemistry/*pharmacology; Neoplasm/drug effects; Proto-Oncogene Proteins/*antagonists & inhibitors/metabolism; Pyrazoles/chemistry/*pharmacology; Quinolines/chemistry/*pharmacology; Receptor Protein-Tyrosine Kinases/*antagonists & inhibitors/metabolism; Structure-Activity Relationship; Tetrazoles/chemistry/*pharmacology; Tumor; Virtual screening
Creator
An entity primarily responsible for making the resource
Oyewumi Moses O; Alazizi Adnan; Liva Sophia; Lin Li; Geldenhuys Werner J
Description
An account of the resource
The clinical application of gallium compounds as anticancer agents is hampered by development of resistance. As a potential strategy to overcome the limitation, eight series of compounds were identified through virtual screening of AXL kinase homology model. Anti-proliferative studies were carried using gallium-sensitive (S) and gallium-resistant (R) human lung adenocarcinoma (A549) cells. Compounds 5476423 and 7919469 were identified as leads. The IC50 values from treating
Identifier
An unambiguous reference to the resource within a given context
<a href="http://doi.org/10.1016/j.bmcl.2014.07.072" target="_blank" rel="noreferrer noopener">10.1016/j.bmcl.2014.07.072</a>
Rights
Information about rights held in and over the resource
Article information provided for research and reference use only. All rights are retained by the journal listed under publisher and/or the creator(s).
2014
Alazizi Adnan
Antineoplastic Agents/chemical synthesis/chemistry/*pharmacology
Antitumor
AXL
Bioorganic & medicinal chemistry letters
Cell Line
Cell Proliferation/drug effects
Cell Survival/drug effects
Department of Pharmaceutical Sciences
Dose-Response Relationship
Drug
Drug Resistance
Drug Screening Assays
Gallium
Gallium-resistance
Gallium/pharmacology
Geldenhuys Werner J
Humans
Lin Li
Liva Sophia
Lung cancer
Lung Neoplasms/drug therapy/*enzymology/*pathology
Molecular Structure
Naphthalenes/chemistry/*pharmacology
NEOMED College of Pharmacy
Neoplasm/drug effects
Oyewumi Moses O
Proto-Oncogene Proteins/*antagonists & inhibitors/metabolism
Pyrazoles/chemistry/*pharmacology
Quinolines/chemistry/*pharmacology
Receptor Protein-Tyrosine Kinases/*antagonists & inhibitors/metabolism
Structure-Activity Relationship
Tetrazoles/chemistry/*pharmacology
Tumor
Virtual screening
-
Text
A resource consisting primarily of words for reading. Examples include books, letters, dissertations, poems, newspapers, articles, archives of mailing lists. Note that facsimiles or images of texts are still of the genre Text.
URL Address
<a href="http://doi.org/10.1016/j.bmcl.2014.03.021" target="_blank" rel="noreferrer noopener">http://doi.org/10.1016/j.bmcl.2014.03.021</a>
Pages
2163–2167
Issue
9
Volume
24
Dublin Core
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Title
A name given to the resource
A novel Lipoprotein lipase (LPL) agonist rescues the enzyme from inhibition by angiopoietin-like 4 (ANGPTL4).
Publisher
An entity responsible for making the resource available
Bioorganic & medicinal chemistry letters
Date
A point or period of time associated with an event in the lifecycle of the resource
2014
2014-05
Subject
The topic of the resource
Angiopoietin-like 4 Protein; Angiopoietins/*metabolism; ANGPTL4; Atherosclerosis; Benzamides/pharmacology; Drug Discovery; Enzyme Activation/*drug effects; High-throughput screen; Homology model; Humans; Ibrolipim; Lipoprotein Lipase/*metabolism; LPL; Molecular Docking Simulation; NO-1886; Organophosphorus Compounds/pharmacology
Creator
An entity primarily responsible for making the resource
Geldenhuys Werner J; Aring Danielle; Sadana Prabodh
Description
An account of the resource
Lipoprotein lipase (LPL) is a key physiological regulator of triglycerides and atherosclerosis risk. Random screening identified a compound designated C10, showing greater LPL agonist activity than NO-1886, a known LPL agonist. Structure-activity relationship (SAR) exploration of C10 led to the identification of C10d exhibiting at least two fold greater LPL activation than
Identifier
An unambiguous reference to the resource within a given context
<a href="http://doi.org/10.1016/j.bmcl.2014.03.021" target="_blank" rel="noreferrer noopener">10.1016/j.bmcl.2014.03.021</a>
Rights
Information about rights held in and over the resource
Article information provided for research and reference use only. All rights are retained by the journal listed under publisher and/or the creator(s).
2014
Angiopoietin-like 4 Protein
Angiopoietins/*metabolism
ANGPTL4
Aring Danielle
Atherosclerosis
Benzamides/pharmacology
Bioorganic & medicinal chemistry letters
Department of Pharmaceutical Sciences
Department of Pharmacy Practice
Drug Discovery
Enzyme Activation/*drug effects
Geldenhuys Werner J
High-throughput screen
Homology model
Humans
Ibrolipim
Lipoprotein Lipase/*metabolism
LPL
Molecular Docking Simulation
NEOMED College of Graduate Studies
NEOMED College of Pharmacy
NO-1886
Organophosphorus Compounds/pharmacology
Sadana Prabodh
-
Text
A resource consisting primarily of words for reading. Examples include books, letters, dissertations, poems, newspapers, articles, archives of mailing lists. Note that facsimiles or images of texts are still of the genre Text.
URL Address
<a href="http://doi.org/10.1016/j.bmcl.2013.01.069" target="_blank" rel="noreferrer noopener">http://doi.org/10.1016/j.bmcl.2013.01.069</a>
Pages
1707–1711
Issue
6
Volume
23
Dublin Core
The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/.
Title
A name given to the resource
3D-QSAR and docking studies of pentacycloundecylamines at the sigma-1 (sigma1) receptor.
Publisher
An entity responsible for making the resource available
Bioorganic & medicinal chemistry letters
Date
A point or period of time associated with an event in the lifecycle of the resource
2013
2013-03
Subject
The topic of the resource
*Quantitative Structure-Activity Relationship; Amines/*chemistry/metabolism; Aza Compounds/chemistry; Binding Sites; Kinetics; Molecular Docking Simulation; Protein Binding; Protein Structure; Receptors; sigma/*chemistry/metabolism; Tertiary
Creator
An entity primarily responsible for making the resource
Geldenhuys Werner J; Novotny Nicholas; Malan Sarel F; Van der Schyf Cornelis J
Description
An account of the resource
Pentacycloundecylamine (PCU) derived compounds have been shown to be promising lead structures for the development of novel drug candidates aimed at a variety of neurodegenerative and psychiatric diseases. Here we show for the first time a 3D quantitative structure-activity relationship (3D-QSAR) for a series of aza-PCU-derived compounds with activity at the sigma-1 (sigma1) receptor. A comparative molecular field analysis (CoMFA) model was developed with a partial least squares cross validated (q(2)) regression value of 0.6, and a non-cross validated r(2) of 0.9. The CoMFA model was effective at predicting the sigma-1 activities of a test set with an r(2) \textgreater0.7. We also describe here the docking of the PCU-derived compounds into a homology model of the sigma-1 (sigma1) receptor, which was developed to gain insight into binding of these cage compounds to the receptor. Based on docking studies we evaluated in a [(3)H]pentazocine binding assay an oxa-PCU, NGP1-01 (IC50=1.78muM) and its phenethyl derivative (IC50=1.54muM). Results from these studies can be used to develop new compounds with specific affinity for the sigma-1(sigma1) receptor.
Identifier
An unambiguous reference to the resource within a given context
<a href="http://doi.org/10.1016/j.bmcl.2013.01.069" target="_blank" rel="noreferrer noopener">10.1016/j.bmcl.2013.01.069</a>
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Information about rights held in and over the resource
Article information provided for research and reference use only. All rights are retained by the journal listed under publisher and/or the creator(s).
*Quantitative Structure-Activity Relationship
2013
Amines/*chemistry/metabolism
Aza Compounds/chemistry
Binding Sites
Bioorganic & medicinal chemistry letters
Geldenhuys Werner J
Kinetics
Malan Sarel F
Molecular Docking Simulation
Novotny Nicholas
Protein Binding
Protein Structure
Receptors
sigma/*chemistry/metabolism
Tertiary
Van der Schyf Cornelis J
-
Text
A resource consisting primarily of words for reading. Examples include books, letters, dissertations, poems, newspapers, articles, archives of mailing lists. Note that facsimiles or images of texts are still of the genre Text.
URL Address
<a href="http://doi.org/10.1016/j.bmcl.2012.09.056" target="_blank" rel="noreferrer noopener">http://doi.org/10.1016/j.bmcl.2012.09.056</a>
Pages
7183–7188
Issue
23
Volume
22
Dublin Core
The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/.
Title
A name given to the resource
Inhibition of monoamine oxidase by derivatives of piperine, an alkaloid from the pepper plant Piper nigrum, for possible use in Parkinson's disease.
Publisher
An entity responsible for making the resource available
Bioorganic & medicinal chemistry letters
Date
A point or period of time associated with an event in the lifecycle of the resource
2012
2012-12
Subject
The topic of the resource
Alkaloids/*chemistry/isolation & purification/pharmacology; Animals; Benzodioxoles/*chemistry/isolation & purification/pharmacology; Binding Sites; Blood-Brain Barrier/drug effects; Bovine/metabolism; Cattle; Humans; Hydrogen Bonding; Molecular Docking Simulation; Monoamine Oxidase Inhibitors/*chemistry/isolation & purification/pharmacology; Monoamine Oxidase/*chemistry/metabolism; Parkinson Disease/metabolism/pathology; Piper nigrum/*chemistry; Piperidines/*chemistry/isolation & purification/pharmacology; Polyunsaturated Alkamides/*chemistry/isolation & purification/pharmacology; Protein Binding; Protein Structure; Serum Albumin; Tertiary
Creator
An entity primarily responsible for making the resource
Al-Baghdadi Osamah B; Prater Natalie I; Van der Schyf Cornelis J; Geldenhuys Werner J
Description
An account of the resource
A series of compounds related to piperine and antiepilepsirine was screened in a monoamine oxidase A and B assay. Piperine is an alkaloid from the source plant of both black and white pepper grains, Piper nigrum. Piperine has been shown to have a wide range of activity, including MAO inhibitory activity. The z-factor for the screening assay was found to be greater than 0.8 for both assays. Notably, the compounds tested were selective towards MAO-B, with the most potent compound having an IC(50) of 498 nM. To estimate blood-brain barrier (BBB) permeability, we used a PAMPA assay, which suggested that the compounds are likely to penetrate the BBB. A fluorescent bovine serum albumin (BSA) high-throughput screening (HTS) binding assay showed an affinity of 8 muM for piperine, with more modest binding for other test compounds. Taken together, the data described here may be useful in gaining insight towards the design of selective MAO-B inhibitory compounds devoid of MAO-A activity.
Identifier
An unambiguous reference to the resource within a given context
<a href="http://doi.org/10.1016/j.bmcl.2012.09.056" target="_blank" rel="noreferrer noopener">10.1016/j.bmcl.2012.09.056</a>
Rights
Information about rights held in and over the resource
Article information provided for research and reference use only. All rights are retained by the journal listed under publisher and/or the creator(s).
2012
Al-Baghdadi Osamah B
Alkaloids/*chemistry/isolation & purification/pharmacology
Animals
Benzodioxoles/*chemistry/isolation & purification/pharmacology
Binding Sites
Bioorganic & medicinal chemistry letters
Blood-Brain Barrier/drug effects
Bovine/metabolism
Cattle
Geldenhuys Werner J
Humans
Hydrogen Bonding
Molecular Docking Simulation
Monoamine Oxidase Inhibitors/*chemistry/isolation & purification/pharmacology
Monoamine Oxidase/*chemistry/metabolism
Parkinson Disease/metabolism/pathology
Piper nigrum/*chemistry
Piperidines/*chemistry/isolation & purification/pharmacology
Polyunsaturated Alkamides/*chemistry/isolation & purification/pharmacology
Prater Natalie I
Protein Binding
Protein Structure
Serum Albumin
Tertiary
Van der Schyf Cornelis J
-
Text
A resource consisting primarily of words for reading. Examples include books, letters, dissertations, poems, newspapers, articles, archives of mailing lists. Note that facsimiles or images of texts are still of the genre Text.
URL Address
<a href="http://doi.org/10.1016/j.bmcl.2012.06.096" target="_blank" rel="noreferrer noopener">http://doi.org/10.1016/j.bmcl.2012.06.096</a>
Pages
5675–5678
Issue
17
Volume
22
Dublin Core
The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/.
Title
A name given to the resource
Identification of a novel serum and glucocorticoid regulated kinase-1 (SGK1) ligand from virtual screening.
Publisher
An entity responsible for making the resource available
Bioorganic & medicinal chemistry letters
Date
A point or period of time associated with an event in the lifecycle of the resource
2012
2012-09
Subject
The topic of the resource
Binding Sites; Drug Discovery; Humans; Immediate-Early Proteins/*antagonists & inhibitors/chemistry/metabolism; Ligands; Molecular Docking Simulation; Protein Kinase Inhibitors/*chemistry/*pharmacology; Protein-Serine-Threonine Kinases/*antagonists & inhibitors/chemistry/metabolism
Creator
An entity primarily responsible for making the resource
Geldenhuys Werner J; Talasila Phani K; Sadana Prabodh
Description
An account of the resource
The serum and glucocorticoid regulated kinase-1 (SGK1) is part of the serine/threonine kinase family and has therapeutic potential in several neurodegenerative diseases such as ischemic stroke and Parkinson's disease. Here we use structure-based virtual screening to identify a novel ligand which inhibits SGK1 activity. The data presented here can be used for future scaffold hopping and possible drug development efforts.
Identifier
An unambiguous reference to the resource within a given context
<a href="http://doi.org/10.1016/j.bmcl.2012.06.096" target="_blank" rel="noreferrer noopener">10.1016/j.bmcl.2012.06.096</a>
Rights
Information about rights held in and over the resource
Article information provided for research and reference use only. All rights are retained by the journal listed under publisher and/or the creator(s).
2012
Binding Sites
Bioorganic & medicinal chemistry letters
Department of Pharmaceutical Sciences
Department of Pharmacy Practice
Drug Discovery
Geldenhuys Werner J
Humans
Immediate-Early Proteins/*antagonists & inhibitors/chemistry/metabolism
Ligands
Molecular Docking Simulation
NEOMED College of Graduate Studies
NEOMED College of Pharmacy
Protein Kinase Inhibitors/*chemistry/*pharmacology
Protein-Serine-Threonine Kinases/*antagonists & inhibitors/chemistry/metabolism
Sadana Prabodh
Talasila Phani K
-
Text
A resource consisting primarily of words for reading. Examples include books, letters, dissertations, poems, newspapers, articles, archives of mailing lists. Note that facsimiles or images of texts are still of the genre Text.
URL Address
<a href="http://doi.org/10.1016/j.bmcl.2011.12.056" target="_blank" rel="noreferrer noopener">http://doi.org/10.1016/j.bmcl.2011.12.056</a>
Pages
1380–1383
Issue
3
Volume
22
Dublin Core
The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/.
Title
A name given to the resource
A scaffold hopping approach to identify novel monoamine oxidase B inhibitors.
Publisher
An entity responsible for making the resource available
Bioorganic & medicinal chemistry letters
Date
A point or period of time associated with an event in the lifecycle of the resource
2012
2012-02
Subject
The topic of the resource
*Monoamine Oxidase/chemistry/metabolism; Benzofurans/chemistry/pharmacology; Enzyme Activation/drug effects; Flavonoids/chemistry/pharmacology; Humans; Inhibitory Concentration 50; Models; Molecular; Molecular Structure; Monoamine Oxidase Inhibitors/*chemistry/*pharmacology; Protein Binding/drug effects; Small Molecule Libraries; Structure-Activity Relationship
Creator
An entity primarily responsible for making the resource
Geldenhuys Werner J; Funk Max O; Van der Schyf Cornelis J; Carroll Richard T
Description
An account of the resource
Monoamine oxidase B (MAO-B) inhibitors are used to treat Parkinson's disease. In this study, we searched for novel MAO-B inhibitors using a scaffold hopping approach based on our experience with the thiazolidinedione (TZD) class of compounds as MAO-B inhibitors. Several novel compounds were identified, with potencies in the low nanomolar and low micromolar range. We also found that derivatives of the natural product sulfuretin are potent MAO-A and MAO-B inhibitors.
Identifier
An unambiguous reference to the resource within a given context
<a href="http://doi.org/10.1016/j.bmcl.2011.12.056" target="_blank" rel="noreferrer noopener">10.1016/j.bmcl.2011.12.056</a>
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Information about rights held in and over the resource
Article information provided for research and reference use only. All rights are retained by the journal listed under publisher and/or the creator(s).
*Monoamine Oxidase/chemistry/metabolism
2012
Benzofurans/chemistry/pharmacology
Bioorganic & medicinal chemistry letters
Carroll Richard T
Enzyme Activation/drug effects
Flavonoids/chemistry/pharmacology
Funk Max O
Geldenhuys Werner J
Humans
Inhibitory Concentration 50
Models
Molecular
Molecular Structure
Monoamine Oxidase Inhibitors/*chemistry/*pharmacology
Protein Binding/drug effects
Small Molecule Libraries
Structure-Activity Relationship
Van der Schyf Cornelis J
-
Text
A resource consisting primarily of words for reading. Examples include books, letters, dissertations, poems, newspapers, articles, archives of mailing lists. Note that facsimiles or images of texts are still of the genre Text.
URL Address
<a href="http://doi.org/10.1016/j.bmcl.2011.10.014" target="_blank" rel="noreferrer noopener">http://doi.org/10.1016/j.bmcl.2011.10.014</a>
Pages
7405–7411
Issue
24
Volume
21
Dublin Core
The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/.
Title
A name given to the resource
3D-Quantitative structure-activity relationship and docking studies of the tachykinin NK3 receptor.
Publisher
An entity responsible for making the resource available
Bioorganic & medicinal chemistry letters
Date
A point or period of time associated with an event in the lifecycle of the resource
2011
2011-12
Subject
The topic of the resource
*Quantitative Structure-Activity Relationship; Binding Sites; Computer Simulation; Drug Design; Humans; Ligands; Models; Molecular; Neurokinin-3/*chemistry/metabolism; Protein Structure; Quinolines/chemistry; Receptors; Tertiary
Creator
An entity primarily responsible for making the resource
Geldenhuys Werner J; Simmons Mark A
Description
An account of the resource
The tachykinin NK(3) receptor (NK(3)R) is a novel drug target for schizophrenia and drug abuse. Since few non-peptide antagonists of this G protein-coupled receptor are available, we have initiated this study to gain a better understanding of the structure-activity relationships of NK(3) antagonist compounds. We developed a 3D comparative molecular similarity index analysis (CoMSIA) model that gave cross-validated PLS values with q(2) \textgreater0.5 which were validated using a test set. We also describe the development of a homology model of the NK(3)R. The model was then used to develop a pharmacophore for docked ligands. This pharmacophore showed two aromatic, two hydrogen donor and one acceptor/aromatic points. These data will be useful for future structure-based drug discovery of ligands for the NK(3)R.
Identifier
An unambiguous reference to the resource within a given context
<a href="http://doi.org/10.1016/j.bmcl.2011.10.014" target="_blank" rel="noreferrer noopener">10.1016/j.bmcl.2011.10.014</a>
Rights
Information about rights held in and over the resource
Article information provided for research and reference use only. All rights are retained by the journal listed under publisher and/or the creator(s).
*Quantitative Structure-Activity Relationship
2011
Binding Sites
Bioorganic & medicinal chemistry letters
Computer Simulation
Drug Design
Geldenhuys Werner J
Humans
Ligands
Models
Molecular
Neurokinin-3/*chemistry/metabolism
Protein Structure
Quinolines/chemistry
Receptors
Simmons Mark A
Tertiary
-
Text
A resource consisting primarily of words for reading. Examples include books, letters, dissertations, poems, newspapers, articles, archives of mailing lists. Note that facsimiles or images of texts are still of the genre Text.
URL Address
<a href="http://doi.org/10.1016/j.bmcl.2011.06.111" target="_blank" rel="noreferrer noopener">http://doi.org/10.1016/j.bmcl.2011.06.111</a>
Pages
5498–5501
Issue
18
Volume
21
Dublin Core
The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/.
Title
A name given to the resource
A novel binding assay identifies high affinity ligands to the rosiglitazone binding site of mitoNEET.
Publisher
An entity responsible for making the resource available
Bioorganic & medicinal chemistry letters
Date
A point or period of time associated with an event in the lifecycle of the resource
2011
2011-09
Subject
The topic of the resource
Binding Sites/drug effects; Dose-Response Relationship; Drug; Ligands; Mitochondrial Proteins/*antagonists & inhibitors/metabolism; Molecular Structure; Recombinant Proteins/antagonists & inhibitors/metabolism; Rosiglitazone; Stereoisomerism; Structure-Activity Relationship; Thiazolidinediones/chemical synthesis/chemistry/*pharmacology
Creator
An entity primarily responsible for making the resource
Geldenhuys Werner J; Funk Max O; Awale Prabha S; Lin Li; Carroll Richard T
Description
An account of the resource
A novel outer mitochondrial membrane protein containing [2Fe-2S] clusters, mitoNEET was first identified through its binding to the anti-diabetic drug pioglitazone. Pioglitazone belongs to a family of drugs that are peroxisome proliferator-activated receptor (PPAR) gamma agonists, collectively known as glitazones. With the lack of pharmacological tools available to fully elucidate mitoNEET's function, we developed a binding assay to probe the glitazone binding site with the aim of developing selective and high affinity compounds. We used multiple thiazolidine-2,4-dione (TZD), 2-thioxothiazolidin-4-one (TTD), and
Identifier
An unambiguous reference to the resource within a given context
<a href="http://doi.org/10.1016/j.bmcl.2011.06.111" target="_blank" rel="noreferrer noopener">10.1016/j.bmcl.2011.06.111</a>
Rights
Information about rights held in and over the resource
Article information provided for research and reference use only. All rights are retained by the journal listed under publisher and/or the creator(s).
2011
Awale Prabha S
Binding Sites/drug effects
Bioorganic & medicinal chemistry letters
Carroll Richard T
Dose-Response Relationship
Drug
Funk Max O
Geldenhuys Werner J
Ligands
Lin Li
Mitochondrial Proteins/*antagonists & inhibitors/metabolism
Molecular Structure
Recombinant Proteins/antagonists & inhibitors/metabolism
Rosiglitazone
Stereoisomerism
Structure-Activity Relationship
Thiazolidinediones/chemical synthesis/chemistry/*pharmacology
-
Text
A resource consisting primarily of words for reading. Examples include books, letters, dissertations, poems, newspapers, articles, archives of mailing lists. Note that facsimiles or images of texts are still of the genre Text.
URL Address
<a href="http://doi.org/10.1016/j.bmcl.2011.06.060" target="_blank" rel="noreferrer noopener">http://doi.org/10.1016/j.bmcl.2011.06.060</a>
Pages
4798–4803
Issue
16
Volume
21
Dublin Core
The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/.
Title
A name given to the resource
Structure-activity relationship and docking studies of thiazolidinedione-type compounds with monoamine oxidase B.
Publisher
An entity responsible for making the resource available
Bioorganic & medicinal chemistry letters
Date
A point or period of time associated with an event in the lifecycle of the resource
2011
2011-08
Subject
The topic of the resource
Animals; Humans; Inbred C57BL; Male; Mice; Models; Molecular; Molecular Structure; Monoamine Oxidase Inhibitors/chemical synthesis/chemistry/*pharmacology; Monoamine Oxidase/*metabolism; Stereoisomerism; Structure-Activity Relationship; Thiazolidinediones/chemical synthesis/chemistry/*pharmacology
Creator
An entity primarily responsible for making the resource
Carroll Richard T; Dluzen Dean E; Stinnett Hilary; Awale Prabha S; Funk Max O; Geldenhuys Werner J
Description
An account of the resource
The neuroprotective activity of pioglitazone and rosiglitazone in the MPTP parkinsonian mouse prompted us to evaluate a set of thiazolidinedione (TZD) type compounds for monoamine oxidase A and B inhibition activity. These compounds were able to inhibit MAO-B over several log units of magnitude (82 nM to 600 muM). Initial structure-activity relationship studies identified key areas to modify the aromatic substituted TZD compounds. Primarily, substitutions on the aromatic group and the TZD nitrogen were key areas where activity was enhanced within this group of compounds.
Identifier
An unambiguous reference to the resource within a given context
<a href="http://doi.org/10.1016/j.bmcl.2011.06.060" target="_blank" rel="noreferrer noopener">10.1016/j.bmcl.2011.06.060</a>
Rights
Information about rights held in and over the resource
Article information provided for research and reference use only. All rights are retained by the journal listed under publisher and/or the creator(s).
2011
Animals
Awale Prabha S
Bioorganic & medicinal chemistry letters
Carroll Richard T
Dluzen Dean E
Funk Max O
Geldenhuys Werner J
Humans
Inbred C57BL
Male
Mice
Models
Molecular
Molecular Structure
Monoamine Oxidase Inhibitors/chemical synthesis/chemistry/*pharmacology
Monoamine Oxidase/*metabolism
Stereoisomerism
Stinnett Hilary
Structure-Activity Relationship
Thiazolidinediones/chemical synthesis/chemistry/*pharmacology
-
Text
A resource consisting primarily of words for reading. Examples include books, letters, dissertations, poems, newspapers, articles, archives of mailing lists. Note that facsimiles or images of texts are still of the genre Text.
URL Address
<a href="http://doi.org/10.1016/j.bmcl.2010.06.128" target="_blank" rel="noreferrer noopener">http://doi.org/10.1016/j.bmcl.2010.06.128</a>
Pages
5295–5298
Issue
17
Volume
20
Dublin Core
The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/.
Title
A name given to the resource
Identification of novel monoamine oxidase B inhibitors by structure-based virtual screening.
Publisher
An entity responsible for making the resource available
Bioorganic & medicinal chemistry letters
Date
A point or period of time associated with an event in the lifecycle of the resource
2010
2010-09
Subject
The topic of the resource
Models; Molecular; Monoamine Oxidase Inhibitors/chemistry/*pharmacology; Monoamine Oxidase/*drug effects; Structure-Activity Relationship
Creator
An entity primarily responsible for making the resource
Geldenhuys Werner J; Darvesh Altaf S; Funk Max O; Van der Schyf Cornelis J; Carroll Richard T
Description
An account of the resource
Parkinson's disease is a severe debilitating neurodegenerative disorder. Recently, it was shown that the peroxisome proliferating-activator receptor-gamma agonist pioglitazone protected mice from
Identifier
An unambiguous reference to the resource within a given context
<a href="http://doi.org/10.1016/j.bmcl.2010.06.128" target="_blank" rel="noreferrer noopener">10.1016/j.bmcl.2010.06.128</a>
Rights
Information about rights held in and over the resource
Article information provided for research and reference use only. All rights are retained by the journal listed under publisher and/or the creator(s).
2010
Bioorganic & medicinal chemistry letters
Carroll Richard T
Darvesh Altaf S
Department of Pharmaceutical Sciences
Funk Max O
Geldenhuys Werner J
Models
Molecular
Monoamine Oxidase Inhibitors/chemistry/*pharmacology
Monoamine Oxidase/*drug effects
NEOMED College of Pharmacy
Structure-Activity Relationship
Van der Schyf Cornelis J
-
Text
A resource consisting primarily of words for reading. Examples include books, letters, dissertations, poems, newspapers, articles, archives of mailing lists. Note that facsimiles or images of texts are still of the genre Text.
URL Address
<a href="http://doi.org/10.1016/j.bmcl.2010.06.090" target="_blank" rel="noreferrer noopener">http://doi.org/10.1016/j.bmcl.2010.06.090</a>
Pages
4870–4877
Issue
16
Volume
20
Dublin Core
The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/.
Title
A name given to the resource
3-D-QSAR and docking studies on the neuronal choline transporter.
Publisher
An entity responsible for making the resource available
Bioorganic & medicinal chemistry letters
Date
A point or period of time associated with an event in the lifecycle of the resource
2010
2010-08
Subject
The topic of the resource
Binding Sites; Blood-Brain Barrier/metabolism; Computer Simulation; Membrane Transport Proteins/*chemistry/metabolism; Models; Molecular; Neurons/*metabolism; Quantitative Structure-Activity Relationship; Quaternary Ammonium Compounds/chemistry
Creator
An entity primarily responsible for making the resource
Geldenhuys Werner J; Allen David D; Lockman Paul R
Description
An account of the resource
The high affinity neuronal choline transporter (CHT1) is responsible for the uptake of choline into the pre-synaptic terminal of cholinergic neurons. Considering our past experience with modeling the blood-brain barrier choline transporter (BBBCHT) as drug delivery vector to the CNS, we investigated the
Identifier
An unambiguous reference to the resource within a given context
<a href="http://doi.org/10.1016/j.bmcl.2010.06.090" target="_blank" rel="noreferrer noopener">10.1016/j.bmcl.2010.06.090</a>
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Information about rights held in and over the resource
Article information provided for research and reference use only. All rights are retained by the journal listed under publisher and/or the creator(s).
2010
Allen David D
Binding Sites
Bioorganic & medicinal chemistry letters
Blood-Brain Barrier/metabolism
Computer Simulation
Geldenhuys Werner J
Lockman Paul R
Membrane Transport Proteins/*chemistry/metabolism
Models
Molecular
Neurons/*metabolism
Quantitative Structure-Activity Relationship
Quaternary Ammonium Compounds/chemistry
-
Text
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<a href="http://doi.org/10.1016/j.bmcl.2010.01.140" target="_blank" rel="noreferrer noopener">http://doi.org/10.1016/j.bmcl.2010.01.140</a>
Pages
1918–1923
Issue
6
Volume
20
Dublin Core
The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/.
Title
A name given to the resource
3D-QSAR and docking studies on transforming growth factor (TGF)-beta receptor 1 antagonists.
Publisher
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Bioorganic & medicinal chemistry letters
Date
A point or period of time associated with an event in the lifecycle of the resource
2010
2010-03
Subject
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Models; Molecular; Quantitative Structure-Activity Relationship; Receptors; Transforming Growth Factor beta/*antagonists & inhibitors
Creator
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Geldenhuys Werner J; Nakamura Hiroshi
Description
An account of the resource
The transforming growth factor-beta (TGF-beta) is part of a family of cytokines which regulate various signaling pathways such as cell development, growth, and tissue injury. Although several studies have been published describing the synthesis of small compounds which inhibit the receptor of TGF-beta, especially the subtype 1 receptor (TGBR1) kinase, no 3D-quantitiative structure-activity relationship study has been published. Here we describe the development of a comparative molecular field analysis (CoMFA) model which yielded a partial least squares statistical cross validated r(2) of \textgreater0.3. CoMFA maps agree with docking studies and pharmacophore analysis that hydrogen bonding is important for binding to ALK-5. These studies could enable the medicinal chemist to develop novel inhibitors which can be used in glaucoma filtration surgery.
Identifier
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<a href="http://doi.org/10.1016/j.bmcl.2010.01.140" target="_blank" rel="noreferrer noopener">10.1016/j.bmcl.2010.01.140</a>
Rights
Information about rights held in and over the resource
Article information provided for research and reference use only. All rights are retained by the journal listed under publisher and/or the creator(s).
2010
Bioorganic & medicinal chemistry letters
Geldenhuys Werner J
Models
Molecular
Nakamura Hiroshi
Quantitative Structure-Activity Relationship
Receptors
Transforming Growth Factor beta/*antagonists & inhibitors
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Text
A resource consisting primarily of words for reading. Examples include books, letters, dissertations, poems, newspapers, articles, archives of mailing lists. Note that facsimiles or images of texts are still of the genre Text.
URL Address
<a href="http://doi.org/10.1016/j.bmcl.2009.12.088" target="_blank" rel="noreferrer noopener">http://doi.org/10.1016/j.bmcl.2009.12.088</a>
Pages
819–823
Issue
3
Volume
20
Dublin Core
The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/.
Title
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Structure-based design of a thiazolidinedione which targets the mitochondrial protein mitoNEET.
Publisher
An entity responsible for making the resource available
Bioorganic & medicinal chemistry letters
Date
A point or period of time associated with an event in the lifecycle of the resource
2010
2010-02
Subject
The topic of the resource
*Drug Design; Animals; Binding Sites/drug effects/physiology; Dose-Response Relationship; Drug; Drug Delivery Systems/*methods; Liver/drug effects/metabolism; Mitochondria; Mitochondrial Proteins/*metabolism; Protein Structure; Rats; Secondary; Structure-Activity Relationship; Thiazolidinediones/administration & dosage/*chemical synthesis/*metabolism
Creator
An entity primarily responsible for making the resource
Geldenhuys Werner J; Funk Max O; Barnes Kendra F; Carroll Richard T
Description
An account of the resource
Several PPAR-gamma agonists containing a thiazolidinedione moiety (referred to as glitazones) have been proposed to be neuroprotective and appear to alter mitochondrial function. Recently, a search for mitochondrial proteins that bind pioglitazone identified a novel protein, mitoNEET, which was later shown to regulate the oxidative capacity of the mitochondria. This identified an alternative target for the glitazones suggesting a possible new drug target for the treatment of neurodegenerative diseases. Molecular docking studies employing the reported crystal structure revealed five possible binding pockets on mitoNEET. We focused on two sites based on their physical characteristics. Using binding information gained from the analysis of two glitazones docked in these pockets, we designed and synthesized a ligand (NL-1) that would preferentially bind to site 1. Based on [(3)H]-binding data of the glitazones and comparisons to computer generated K(i)s, we were able to predict that site 1 was likely the target of the glitazones. NL-1 uncoupled isolated mitochondrial complex I respiration with an IC(50) of 2.4 microM and inhibited state III respiration up to 45%. To investigate the ability of NL-1 to block rotenone initiated free radicals from complex I, we found it was able to protect the human neuronal cell line SH-SY5Y against rotenone induced cell death. These data demonstrate that mitoNEET is a viable target for the design and synthesis of novel therapeutic agents aimed at altering mitochondrial function.
Identifier
An unambiguous reference to the resource within a given context
<a href="http://doi.org/10.1016/j.bmcl.2009.12.088" target="_blank" rel="noreferrer noopener">10.1016/j.bmcl.2009.12.088</a>
Rights
Information about rights held in and over the resource
Article information provided for research and reference use only. All rights are retained by the journal listed under publisher and/or the creator(s).
*Drug Design
2010
Animals
Barnes Kendra F
Binding Sites/drug effects/physiology
Bioorganic & medicinal chemistry letters
Carroll Richard T
Dose-Response Relationship
Drug
Drug Delivery Systems/*methods
Funk Max O
Geldenhuys Werner J
Liver/drug effects/metabolism
Mitochondria
Mitochondrial Proteins/*metabolism
Protein Structure
Rats
Secondary
Structure-Activity Relationship
Thiazolidinediones/administration & dosage/*chemical synthesis/*metabolism