Computational and experimental exploration of statin and statin-like compounds as potential treatment of schistosomiasis.

ABSTRACT: Schistosomiasis remains a global health challenge, affecting over 240 million people each year. Current treatment options, including praziquantel, are limited by their inability to target immature schistosomula and growing concerns around drug resistance. Targeting 3- hydroxy 3-methylglutaryl coenzyme A reductase from Schistosoma mansoni (SmHMGR), a key enzyme in the parasite's mevalonate pathway, presents a promising therapeutic strategy. Although the antischistosomal potential of statins has been previously explored, this study introduces a novel integrated pipeline that combines homology modelling, large scale analogue screening of a 1013 compound chemical space, validated molecular docking, molecular dynamics simulations, and experimental validation to systematically identify SmHMGR in

SUBMITTER: Paul-Odeniran KF 

PROVIDER: S-EPMC12448999 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature