Structure-based virtual screening approach to the discovery of p38 MAP kinase inhibitors

p38 Mitogen-activated protein kinase (MAPK) has been considered to be a promising target for the development of therapeutics for various immunologic diseases. Herein we report an example for a successful application of the virtual screening with protein–ligand docking to identify the novel inhibitor...

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Veröffentlicht in:	Bioorganic & medicinal chemistry letters 2012-03, Vol.22 (6), p.2195-2199
Hauptverfasser:	Choi, Hwanho, Park, Ho Jeong, Shin, Jong Chul, Ko, Hyun Sun, Lee, Jung Kyun, Lee, Soyoung, Park, Hwangseo, Hong, Sungwoo
Format:	Artikel
Sprache:	eng
Schlagworte:	Anti-inflammatory agents Anti-Inflammatory Agents - chemistry Binding Sites Biological and medical sciences Computer Simulation Databases, Factual Docking Drug Design drugs Humans immunologic diseases Inhibitor inhibitory concentration 50 Ligands Medical sciences mitogen-activated protein kinase Mitogen-Activated Protein Kinase 14 - antagonists & inhibitors Mitogen-Activated Protein Kinase 14 - chemistry Models, Molecular p38 MAPK Pharmacology. Drug treatments physicochemical properties Protein Binding Protein Kinase Inhibitors - chemistry screening Structure-Activity Relationship structure-activity relationships therapeutics Virtual screening
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