Design, Synthesis and Antiviral Activity of Novel EV71 3C Protease Inhibitors
- VernacularTitle:新型抗EV71病毒3 C蛋白酶抑制药的设计、合成及其活性
- Author:
Jian YANG
;
Fang ZHANG
;
Jingxiang YANG
;
Rui YU
;
Xianxi GUO
- Publication Type:Journal Article
- Keywords:
Oligopeptide;
Design;
Synthesis;
Anti-EV71;
3C protease
- From:
China Pharmacist
2015;18(10):1638-1642
- CountryChina
- Language:Chinese
-
Abstract:
Objective:To explore novel compounds with anti-EV71 activity. Methods: A series of oligopeptides were designed based on the active groove of the EV71 3C protease using molecular simulation technology. Furthermore, some oligopeptides were syn-thesized and tested for the inhibition ability against EV71 in vitro. Results:Pentapeptides had higher binding affinity to the EV71 3C protease than the other oligopeptides, such as compounds 25 and 16. Therefore, compounds 25 and 16 were synthesized and tested in vitro for the anti-EV71 activity, and compound 25 exhibited potent anti-EV71 activity(EC50 =1. 36 μmol·L-1, CC50 =211. 94 μmol ·L-1, SI=155. 84), while compound 16 had no evident effect on EV71. Conclusion: It is worthy of further investigation on com-pound 25 as a novel scaffold of anti-EV71inhibitor.
