Structure-based design of hexahydropyrimidin-5-ols as novel non-peptidic β-secretase inhibitors

作     者：周博 牛彦 邹晓民 许凤荣 袁悦 王超 高海飞 刘鹏 徐萍 

作者机构：北京大学医学部药学院药物化学系北京100191 

基　　金：National Natural Science Foundation of China (Grant No.20772008 and 30772650) 

出 版 物：《Journal of Chinese Pharmaceutical Sciences》 (中国药学（英文版）)

年 卷 期：2010年第19卷第5期

页      码：341-345页

摘      要：Based upon the crystal structure of a previously reported fragment hit that binds to Corresponding author. β-secretase, a novel series of non-peptidic small-molecule β-secretase inhibitors, namely hexahydropyrimidin-5-ols, along with two series of their analogues, were rationally designed through structural modification. The CADD study was performed and revealed good expectation. Inhibitory activities of the corresponding structural cores were tested, which provided further support for our design approach.

主 题 词：β-Secretase inhibitors Hexahydropyrimidin-5-ols Structure-based drug design Computer-aided drug design 

学科分类：1007[医学-药学类] 100704[100704] 10[医学] 

馆 藏 号：203210514...