International Journal of Molecular Sciences | |
Quantitative Structure-Activity Relationship Studies on Indenoisoquinoline Topoisomerase I Inhibitors as Anticancer Agents in Human Renal Cell Carcinoma Cell Line SN12C | |
Yi Zhi3  Jin Yang1  Shengchao Tian3  Fang Yuan3  Yang Liu3  Yi Zhang1  Pinghua Sun2  Bo Song3  | |
[1] Department of Cell Biology, Third Military Medical University, Chongqing 400038, China; E-Mails:;Guangdong Province Key Laboratory of Pharmacodynamic Constituents of Traditional Chinese Medicine and New Drugs Research, College of Pharmacy, Jinan University, Guangzhou 510632, China; E-Mail:;Urology Center, Southwest Hospital, Third Military Medical University, Chongqing 400038, China; E-Mails: | |
关键词: CoMFA; CoMSIA; QSAR; indenoisoquinoline; Top1 inhibitors; | |
DOI : 10.3390/ijms13056009 | |
来源: mdpi | |
【 摘 要 】
Topoisomerase I is important for DNA replication and cell division, making it an attractive drug target for anticancer therapy. A series of indenoisoquinolines displaying potent Top1 inhibitory activity in human renal cell carcinoma cell line SN12C were selected to establish 3D-QSAR models using CoMFA and CoMSIA methods. Internal and external cross-validation techniques were investigated, as well as some measures taken, including region focusing, bootstrapping and the “leave-group-out” cross-validation method. The satisfactory CoMFA model predicted a
【 授权许可】
CC BY
© 2012 by the authors; licensee Molecular Diversity Preservation International, Basel, Switzerland.
【 预 览 】
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RO202003190044294ZK.pdf | 647KB | download |