Browse Items · NEOMED Bibliography Database

Predictive Screening Model For Potential Vector-mediated Transport Of Cationic Substrates At The Blood-brain Barrier Choline Transporter

Tags: 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

Bis-azaaromatic quaternary ammonium salts as ligands for the blood-brain barrier choline transporter

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…

bis-pyridinium cyclophanes: Novel ligands with high affinity for the blood-brain barrier choline transporter

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…

Novel compounds that target lipoprotein lipase and mediate growth arrest in acute lymphoblastic leukemia.

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…

Tags: *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

High-content screen using zebrafish (Danio rerio) embryos identifies a novel kinase activator and inhibitor.

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)…

Tags: *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

Structure-activity and in vivo evaluation of a novel lipoprotein lipase (LPL) activator.

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…

Identification of small molecules that bind to the mitochondrial protein mitoNEET.

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…

Screening and identification of novel compounds with potential anti-proliferative effects on gallium-resistant lung cancer through an AXL kinase pathway.

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…

Tags: 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

A novel Lipoprotein lipase (LPL) agonist rescues the enzyme from inhibition by angiopoietin-like 4 (ANGPTL4).

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…

3D-QSAR and docking studies of pentacycloundecylamines at the sigma-1 (sigma1) receptor.

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…

Tags: *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

Inhibition of monoamine oxidase by derivatives of piperine, an alkaloid from the pepper plant Piper nigrum, for possible use in Parkinson's disease.

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…

Identification of a novel serum and glucocorticoid regulated kinase-1 (SGK1) ligand from virtual screening.

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…

Tags: 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

A scaffold hopping approach to identify novel monoamine oxidase B inhibitors.

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…

Tags: *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

3D-Quantitative structure-activity relationship and docking studies of the tachykinin NK3 receptor.

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…

Tags: *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

A novel binding assay identifies high affinity ligands to the rosiglitazone binding site of mitoNEET.

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…

Tags: 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

Structure-activity relationship and docking studies of thiazolidinedione-type compounds with monoamine oxidase B.

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…

Identification of novel monoamine oxidase B inhibitors by structure-based virtual screening.

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

Tags: 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

3-D-QSAR and docking studies on the neuronal choline transporter.

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)…

Tags: 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

3D-QSAR and docking studies on transforming growth factor (TGF)-beta receptor 1 antagonists.

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…

Tags: 2010, Bioorganic & medicinal chemistry letters, Geldenhuys Werner J, Models, Molecular, Nakamura Hiroshi, Quantitative Structure-Activity Relationship, Receptors, Transforming Growth Factor beta/*antagonists & inhibitors

Structure-based design of a thiazolidinedione which targets the mitochondrial protein mitoNEET.

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…

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