International Journal of Molecular Sciences | |
3D QSAR Studies, Pharmacophore Modeling and Virtual Screening on a Series of Steroidal Aromatase Inhibitors | |
Huiding Xie2  Kaixiong Qiu1  Xiaoguang Xie2  | |
[1] Department of Chemistry, School of Pharmaceutical Science & Yunnan Key Laboratory of Pharmacology for Natural Products, Kunming Medical University, Kunming 650500, Yunnan, China; E-Mail:;Department of Chemistry, Yunnan University, Kunming 650091, Yunnan, China | |
关键词: steroidal aromatase inhibitors; 3D QSAR; CoMFA; CoMSIA; pharmacophore; virtual screening; | |
DOI : 10.3390/ijms151120927 | |
来源: mdpi | |
【 摘 要 】
Aromatase inhibitors are the most important targets in treatment of estrogen-dependent cancers. In order to search for potent steroidal aromatase inhibitors (SAIs) with lower side effects and overcome cellular resistance, comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) were performed on a series of SAIs to build 3D QSAR models. The reliable and predictive CoMFA and CoMSIA models were obtained with statistical results (CoMFA:
【 授权许可】
CC BY
© 2014 by the authors; licensee MDPI, Basel, Switzerland.
【 预 览 】
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RO202003190019897ZK.pdf | 526KB | download |