American Chemical Society
Browse
jm7b00103_si_001.pdf (5.55 MB)

Michael Acceptor-Based Peptidomimetic Inhibitor of Main Protease from Porcine Epidemic Diarrhea Virus

Download (5.55 MB)
journal contribution
posted on 2017-03-13, 00:00 authored by Fenghua Wang, Cheng Chen, Kailin Yang, Yang Xu, Xiaomei Liu, Fan Gao, He Liu, Xia Chen, Qi Zhao, Xiang Liu, Yan Cai, Haitao Yang
Porcine epidemic diarrhea virus (PEDV) causes high mortality in pigs. PEDV main protease (Mpro) plays an essential role in viral replication. We solved the structure of PEDV Mpro complexed with peptidomimetic inhibitor N3 carrying a Michael acceptor warhead, revealing atomic level interactions. We further designed a series of 17 inhibitors with altered side groups. Inhibitors M2 and M17 demonstrated enhanced specificity against PEDV Mpro. These compounds have potential as future therapeutics to combat PEDV infection.

History