Abstract
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 of mPGES-1 along with a 3D-quantitative structure-activity relationship (3D-QSAR) analysis. The obtained satisfactory binding structures and 3D-QSAR models strongly suggest that the 3D structural model of mPGES-1 is reasonable for study of mPGES-1 binding with inhibitors and for future design of novel mPGES-1 inhibitors.
Original language | English |
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Pages (from-to) | 179-185 |
Number of pages | 7 |
Journal | Journal of Chemical Information and Modeling |
Volume | 48 |
Issue number | 1 |
DOIs | |
State | Published - Jan 2008 |
ASJC Scopus subject areas
- General Chemistry
- General Chemical Engineering
- Computer Science Applications
- Library and Information Sciences