Conformational effects on potency of thioimidazoles and dihydrothiazolines

MedChemComm Pub Date: 2011-01-27 DOI: 10.1039/C0MD00228C

Abstract

We investigated the effect of steric restriction and hindrance on inhibitors directed against the biological activity of p38α MAP kinase. The structural reduction of the early lead compound SKF86002 into three structural classes of optimized SKF86002-like inhibitors produced a strong effect on inhibitory potency. This effect was investigated by conformational analysis and docking experiments.

Graphical abstract: Conformational effects on potency of thioimidazoles and dihydrothiazolines
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