期刊
PPAR RESEARCH
卷 2017, 期 -, 页码 -出版社
HINDAWI LTD
DOI: 10.1155/2017/6397836
关键词
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资金
- NSERC (Canada) [417652]
- College of Pharmacy and Nutrition, University of Saskatchewan, Canada [415458]
- Foreign Affairs and International Trade Canada (DFAIT)
- Canadian Bureau for International Education (CBIE)
- Deanship of Scientific Research at King Saud University [RGP-009]
Peroxisome proliferator-activated receptor gamma (PPAR gamma) is a potential target for the treatment of several disorders. In view of several FDA approved kinase inhibitors, in the current study, we have investigated the interaction of selected kinase inhibitors with PPAR gamma using computationalmodeling, docking, and molecular dynamics simulations (MDS). The docked conformations and MDS studies suggest that the selected KIs interact with PPAR gamma in the ligand binding domain (LBD) with high positive predictive values. Hence, we have for the first time shown the plausible binding of KIs in the PPAR gamma ligand binding site. The results obtained from these in silico investigations warrant further evaluation of kinase inhibitors as PPAR gamma ligands in vitro and in vivo.
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