文献类型：期刊文献

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

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

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

机构：[1]Shanghai Key Laboratory of New Drug Design,State Key Laboratory of Bioreactor Engineering,School of Pharmacy,East China University of Science and Technology

年份：2015

卷号：26

期号：1

起止页码：63

中文期刊名：Chinese Chemical Letters

外文期刊名：中国化学快报（英文版）

收录：CSTPCD;;Scopus;CSCD:【CSCD2015_2016】；PubMed;

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

语种：英文

中文关键词：2-Thioxo-4-thiazolidinone;Peroxisome proliferator activated receptorγ;Binding activities;SAR;Molecular docking

外文关键词：2-Thioxo-4-thiazolidinone;Peroxisome proliferator activated receptorγ;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 γ（PPARγ） binding activities.Through the biological assays,compounds 18 and 38 were highlighted with K_i values of 12.15 nmol/Land 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 Rosightazone in the PPARγligand 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 PPARγ.
We designed and synthesized a series of 2-thioxo-4-thiazolidinone derivatives and evaluated them on peroxisome proliferator activated receptor γ（PPARγ） binding activities.Through the biological assays,compounds 18 and 38 were highlighted with K_i values of 12.15 nmol/Land 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 Rosightazone in the PPARγligand 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 PPARγ.