Human microsomal prostaglandin E synthase-1 (mPGES-1) binding with inhibitors and the quantitative structure-activity correlation.
作者： Mohamed Diwan M. AbdulHameed , Adel Hamza , Junjun Liu , Xiaoqin Huang , Chang-Guo Zhan
DOI: 10.1021/CI700315C
关键词:
摘要: The detailed structures of microsomal prostaglandin E synthase-1 (mPGES-1) binding with inhibitors have been studied, for the first time, by using a newly developed computational three-dimensional (3D) structural model mPGES-1 along 3D-quantitative structure−activity relationship (3D-QSAR) analysis. obtained satisfactory and 3D-QSAR models strongly suggest that 3D is reasonable study future design novel inhibitors.
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