文献类型：期刊文献

英文题名：Design, synthesis and evaluation of PPAR gamma binding activity of 2-thioxo-4-thiazolidinone derivatives

作者：Zhou, Li[1];Zhong, Ye[1];Xue, Meng-Zhu[1];Kuang, Dong[1];Cao, Xian-Wen[1];Zhao, Zhen-Jiang[1];Li, Hong-Lin[1];Xu, Yu-Fang[1];Wang, Rui[1]

机构：[1]E China Univ Sci & Technol, Shanghai Key Lab New Drug Design, State Key Lab Bioreactor Engn, Sch Pharm, Shanghai 200237, Peoples R China

年份：2015

卷号：26

期号：1

起止页码：63

外文期刊名：CHINESE CHEMICAL LETTERS

收录：;WOS:【SCI-EXPANDED(收录号:WOS:000349577900015)】；

基金：This work was supported by the National Natural Science Foundation of China (Nos. 81072627, 81230090 and 81222046), Shanghai Committee of Science and Technology (Nos. 12431900901 and 12401900801) and the Fundamental Research Funds for the Central Universities (111 Project, No. B07023);

语种：英文

外文关键词：2-Thioxo-4-thiazolidinone; Peroxisome proliferator activated receptor gamma; Binding activities; SAR; Molecular docking

摘要：We designed and synthesized a series of 2-thioxo-4-thiazolidinone derivatives and evaluated them on peroxisome proliferator activated receptor gamma (PPAR gamma) binding activities. Through the biological assays, compounds 18 and 38 were highlighted with K-i values of 12.15 nmol/L and 14.46 nmol/L, respectively. Then structure-activity relationship (SAR) was analyzed to screen privileged structural modifications. Moreover, molecular fitting of these compounds onto the approved drug Rosiglitazone in the PPAR gamma ligand binding domain was performed to elucidate the SAR and explore potential receptor-ligand interactions. These results demonstrate that the 2-thioxo-4-thiazolidinones can be considered as new promising molecular probes with excellent binding activities to PPAR gamma. (C) 2014 Rui Wang and Yu-Fang Xu. Published by Elsevier B.V. on behalf of Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. All rights reserved.