Integrated <i>in silico</i>-<i>in vitro</i> and pharmacokinetic profiling of <i>Thymus vulgaris</i>-derived metabolites targeting multidrug resistance pathways in extensively drug-resistant <i>Acinetobacter baumannii</i> (muks92).

ABSTRACT:

Background

Acinetobacter baumannii is a major nosocomial pathogen with extensive drug resistance (XDR) driven by β-lactamases, efflux systems, and biofilm formation. Plant-derived metabolites are promising multi-target modulators of these pathways.

Methods

Ten XDR A. baumannii isolates with strong biofilm and β-lactamase activity were screened; the most resistant (strain muks92) underwent whole-genome sequencing and in-silico analyses. Essential oil from Thymus vulgaris was profiled by GC-MS, identifying o-cymene (32.95%) and gamma-terpinene (16.85%) as dominant constituents. Molecular docking (AutoDock Vina) targeted class D β-lactamase (6T1H), a biofilm-associated regulator (5HM6), and PBP1a/efflux-associated protein (8YR0), with post-docking vi

SUBMITTER: Abdulkareem AH 

PROVIDER: S-EPMC12753994 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature