Citation: Hua Liang JIANG, Kai Xian CHEN, Jian Zhong CHEN, Yun TANG, Qillg Mi WANG, Quan LI, Xu SHEN, Ru Yun JI. 3D-QSAR STUDY ON HUPERZINE A ANALOGS WITH MOLECULAR MODELING AND COMPARATIVE MOLECULAR FIELD ANALYSIS(COMFA) METHODS[J]. Chinese Chemical Letters, ;1996, 7(3): 253-256. shu

3D-QSAR STUDY ON HUPERZINE A ANALOGS WITH MOLECULAR MODELING AND COMPARATIVE MOLECULAR FIELD ANALYSIS(COMFA) METHODS

Shanghai Institule of Materia Medica, Chinese Academy of Scoences 294 Taiyuan Road, Shanghai 200031

Received Date: 14 July 1995

Fund Project: This work was supported in part by "863" High Technology Program of China. Thanks to Mr. Liu Cunhu and Mr. Cao Linxiao of 3-Link Systems Pet. Ltd. for providing with computational facilities.

On the basis of conformational search for ten huperzine A analogs according to the structure of AChE active site with our approach BCSPL,we performed a 3D-QSAR analysis for these compounds using molecular modeling and CoMFA method.The calculation results can be used to explain the relationship between the structure properties and the activities.
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