Quantitative structure-activity relationship of the inhibitors of acetylcholinesterase by comparative molecular field analysis(乙酰胆碱酯酶抑制剂定量构效关系的比较分子场分析)

Affiliations

ZHAOWen-na(赵文娜): Department of Chemistry, Zhejiang University, Hangzhou 310027, China(浙江大学化学系，浙江杭州 310027)
HUANGMei-lan(黄美兰): Department of Chemistry, Zhejiang University, Hangzhou 310027, China(浙江大学化学系，浙江杭州 310027)
ZHANGBing(张兵): Department of Chemistry, Zhejiang University, Hangzhou 310027, China(浙江大学化学系，浙江杭州 310027)
ZOUJian-wei(邹建卫): Department of Chemistry, Zhejiang University, Hangzhou 310027, China(浙江大学化学系，浙江杭州 310027)
SHANGZhi-cai(商志才): Department of Chemistry, Zhejiang University, Hangzhou 310027, China(浙江大学化学系，浙江杭州 310027)
YUQing-sen(俞庆森): Department of Chemistry, Zhejiang University, Hangzhou 310027, China(浙江大学化学系，浙江杭州 310027)

Abstract

乙酸胆碱酯酶抑制剂是治疗早老性痴呆病的主要药物,为了给合成提供一些理论依据,可以利用3D-QSAR中的CoMFA方法研究乙酰胆碱酯酶抑制剂定量构效关系.研究表明,从PLS分析的rcv2,r2值看,模型有较强的预测能力;从立体与静电作用分数比看,立体因素占主要地位,对合成有一定的指导作用.

ISSN: 1008-9497 (Print)
Publisher: Zhejiang University Press
Country of publisher: China
LCC subjects: Science: Mathematics: Instruments and machines: Electronic computers. Computer science; Science: Physics
Website: https://www.zjujournals.com/sci/EN/1008-9497/home.shtml