Pharmacophore-Based Virtual Screening Toward the Discovery of Novel Anti-echinococcal Compounds.

ABSTRACT: Echinococcosis is a serious helminthic zoonosis with a great impact on human health and livestock husbandry. However, the clinically used drugs (benzimidazoles) have a low cure rate, so alternative drugs are urgently needed. Currently, drug screenings for echinococcosis are mainly phenotype-based, and the efficiency of identifying active compounds is very low. With a pharmacophore model generated from the structures of active amino alcohols, we performed a virtual screening to discover novel compounds with anti-echinococcal activity. Sixty-two compounds from the virtual screening were tested on Echinococcus multilocularis protoscoleces, and 10 of these compounds were found to be active. After further evaluation of their cytotoxicity, S6 was selected along with two active amino alcoh

SUBMITTER: Liu C 

PROVIDER: S-EPMC7098963 | biostudies-literature | 2020

REPOSITORIES: biostudies-literature