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

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

Geldenhuys Werner J; Talasila Phani K; Sadana Prabodh

Bioorganic & medicinal chemistry letters

2012

2012-09

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.

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

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5675–5678

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