AI-guided pipeline for protein–protein interaction drug discovery identifies a SARS-CoV-2 inhibitor

Published on
Journal: Molecular Systems Biology
[저자] Philipp Trepte, Christopher Secker, Julien Olivet, Jeremy Blavier, Simona Kostova, Sibusiso B Maseko, Igor Minia, Eduardo Silva Ramos, Patricia Cassonnet, Sabrina Golusik, Martina Zenkner, Stephanie Beetz, Mara J Liebich, Nadine Scharek, Anja Schütz, Marcel Sperling, Michael Lisurek, Yang Wang, Kerstin Spirohn, Tong Hao, Michael A Calderwood, David E Hill, Markus Landthaler, Soon Gang Choi, Jean-Claude Twizere, Marc Vidal, Erich E Wanker
[Category] update2024,
PMC URL    Pubmed URL    DOI URL    [DOI] 10.1038/s44320-024-00019-8    
[Article Type] Method
[Source] PMC

A new pipeline for prioritizing protein-protein interactions (PPIs) for drug discovery, combines machine learning-based scoring of quantitative PPI data, protein complex structure prediction and virtual drug screening.

All Keywords
【저자키워드】 SARS-CoV-2, proteomics, machine learning, Pharmacology & Drug Discovery, AlphaFold, protein–protein interactions, Methods & Resources, VirtualFlow,