Highly accurate protein structure prediction-based virtual docking pipeline accelerating the identification of anti-schistosomal compounds
Wenjun Cheng, Mengjie Gu, Yuepeng Wang, Jing Wang, Shan Li, Gongwen Chen, Xu Chen, Oyetunde T. Oyeyemi, Yang Hong, Wei Hu, Jipeng Wang
This paper uses AlphaFold for protein structure prediction and virtual screening to identify anti-schistosomal compounds, finding seven active compounds including Carubicin hydrochloride, which targets U2AF65 and disrupts parasite splicing.
PLoS Pathogens · Oct 13, 2025Peer-reviewedPathology