Permethrin as a Potential Furin Inhibitor through a Novel Non-Competitive Allosteric Inhibition.

ABSTRACT: Furin is a potential target protein associated with numerous diseases; especially closely related to tumors and multiple viral infections including SARS-CoV-2. Most of the existing efficient furin inhibitors adopt a substrate analogous structure, and other types of small molecule inhibitors need to be discovered urgently. In this study, a high-throughput screening combining virtual and physical screening of natural product libraries was performed, coupled with experimental validation and preliminary mechanistic assays at the molecular level, cellular level, and molecular simulation. A novel furin inhibitor, permethrin, which is a derivative from pyrethrin I generated by Pyrethrum cinerariifolium Trev. was identified, and this study confirmed that it binds to a novel allosteric pocke

SUBMITTER: Feng D 

PROVIDER: S-EPMC9959265 | biostudies-literature | 2023 Feb

REPOSITORIES: biostudies-literature