New antibacterial candidates against Acinetobacter baumannii discovered by in silico-driven chemogenomics repurposing.

ABSTRACT: Acinetobacter baumannii is a worldwide Gram-negative bacterium with a high resistance rate, responsible for a broad spectrum of hospital-acquired infections. A computational chemogenomics framework was applied to investigate the repurposing of approved drugs to target A. baumannii. This comprehensive approach involved compiling and preparing proteomic data, identifying homologous proteins in drug-target databases, evaluating the evolutionary conservation of targets, and conducting molecular docking studies and in vitro assays. Seven drugs were selected for experimental assays. Among them, tavaborole exhibited the most promising antimicrobial activity with a minimum inhibitory concentration (MIC) value of 2 μg/ml, potent activity against several clinically relevant strains, and robust effic

SUBMITTER: Borges KCM 

PROVIDER: S-EPMC11426455 | biostudies-literature | 2024

REPOSITORIES: biostudies-literature