Journal
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
Volume 27, Issue 16, Pages 3739-3743Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.bmcl.2017.06.075
Keywords
Prostaglandin; Inflammation; Selective inhibitor; Inhibitor identification
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Funding
- Molecular Modeling and Biopharmaceutical Center at the University of Kentucky College of Pharmacy
- National Science Foundation (NSF) [CHE-1111761]
- National Institutes of Health via the National Center for Advancing Translational Sciences [UUTR001998]
- China Scholarship Council
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Human mPGES-1 is recognized as a promising target for next generation of anti-inflammatory drugs. Although various mPGES-1 inhibitors have been reported in literature, few have entered clinical trials and none has been proven clinically useful so far. It is highly desired for developing the next generation of therapeutics for inflammation-related diseases to design and discover novel inhibitors of mPGES-1 with new scaffolds. Here, we report the identification of a series of new, potent and selective inhibitors of human mPGES-1 with diverse scaffolds through combined computational and experimental studies. The computationally modeled binding structures of these new inhibitors of mPGES-1 provide some interesting clues for rational design of modified structures of the inhibitors to more favorably bind with mPGES-1. (C) 2017 Elsevier Ltd. All rights reserved.
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