Novel lead structures for p38 MAP kinase via FieldScreen virtual screening

…, F Lehmann, S Luik, M Gottert, JL Melville…

Index: Cheeseright, Timothy J.; Holm, Melanie; Lehmann, Frank; Luik, Sabine; Gottert, Marcia; Melville, James L.; Laufer, Stefan Journal of Medicinal Chemistry, 2009 , vol. 52, # 14 p. 4200 - 4209

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Citation Number: 32

Abstract

p38 MAP kinase has received considerable interest in the pharmaceutical industry and remains a valid and interesting target for the treatment of inflammation. To discover novel p38 inhibitors, we applied the ligand-based virtual screening technique, FieldScreen, to 1.2 million commercially available compounds. Fifty-eight diverse compounds were selected for biological analysis, using molecular field similarity to known inhibitors, while explicitly ...