文献类型：期刊文献

英文题名：Design and Anticancer Evaluation of Novel Norcantharidin Derivatives with 3D-QSAR studies

作者：Hu, Chunqi[1];Wang, Guofang[1];Wu, Chunlei[1];Deng, Liping[1]

机构：[1]Shaoxing Univ, Dept Chem & Chem Engn, Shaoxing 312000, Peoples R China

年份：2017

卷号：39

期号：2

起止页码：261

外文期刊名：JOURNAL OF THE CHEMICAL SOCIETY OF PAKISTAN

收录：SCI-EXPANDED(收录号：WOS:000401550700012)、、Scopus(收录号：2-s2.0-85019481777)、WOS

基金：This study was financially supported by National Science Foundation for Young Scholars of China under Grant (No. 81502926 and No. 81202411). The authors also thank Prof. Yongzhou Hu of Zhejiang University for helping providing experiment facilities.

语种：英文

外文关键词：Anticancer Evaluation; Norcantharidin Derivatives; Aromatic Amines; CoMFA

外文摘要：Norcantharidin (NCTD) is a demethylated form of cantharidin (CAN) which was discovered from traditional Chinese medicine and is a treatment for cancers. In this study, two series of modification of CAN are designed and proposed based on the x-ray crystal structures of protein phosphatase 1 (PP1) and 2A (PP2A) which have been identified as molecular targets of CAN and NCTD for the anticancer activities. The synthesized compounds were tested by in vitro assays to verify the anticancer efficacy. Furthermore, the structure-activity relationship was discussed of the new efficacious compounds and their 3D-quantitative structure-activity relationship (3D-QSAR) was employed for further investigation on potent target molecules.