Nonacidic Inhibitors of Human Microsomal Prostaglandin Synthase 1 (mPGES 1) Identified by a Multistep Virtual Screening Protocol

作者：Roersch Florian; Wobst Ivonne; Zettl Heiko; Schubert Zsilavecz Manfred; Groesch Sabine; Geisslinger Gerd; Schneider Gi**ert; Proschak Ewgenij^*

来源：Journal of Medicinal Chemistry, 2010, 53(2): 911-915.

DOI：10.1021/jm9012505

Microsomal prostaglandin E-2-synthase (mPGES-1) is a target for future anti-inflammatory drugs. Inhibitors of mPGES-1 mimicking prostaglandin E-2 often interact with cyclooxygenases (COXs) 1 and 2, leading to unwanted side effects. Selective inhibitors of mPGES-1 can be obtained by deliberate abdication of the acidic groups, which are an important feature of COX inhibition. Here, we present it Successful virtual screening study that results in it potent nonacidic mPGES-1 inhibitor lacking COX Inhibition.

• 出版日期2010-1-28