Journal of medicinal chemistryHumansAnimalsCaco-2 CellsBacterial ToxinsClostridioides difficile
Virtual Screening and Multistage Computational Profiling of Small-Molecule Inhibitors Targeting Clostridioides difficile Toxin B.
Runze Wang, Qiuyu Zhang, Yi Lin, Yangpei Huang, Yuanfei Yang, Chaoqiang Ni, Chaoqiao Wang, Shuangshuang Wan
Published: 202510.1021/acs.jmedchem.5c01483
Abstract
Clostridioides difficile infection (CDI), a leading cause of antibiotic-associated diarrhea, is driven by the virulence factor toxin B (TcdB), whose receptor-binding interfaces (RBIs) exhibit evolutionary divergence into α and β subtypes with distinc…
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