Molecular Interactions of Mycobacterial Transporter for Novel Antimicrobial Strategies

Efflux mechanisms for extruding antimicrobials, mediated by multidrug transporters, are key contributors to multidrug resistance in mycobacteria. The current study focused on molecular interaction analysis of Mycobacterium tuberculosis multidrug transporter implicated in multidrug and antimicrobial resistance. We screened a library of efflux transporter inhibitors against the protein structure to identify a lead compound that can potentially inhibit the transporter significantly. The efflux transporter sequence was modeled based on crystallized templates using protein structure prediction and molecular docking. The analysis deduced molecular interactions and critical binding residues that can be targeted as novel biotherapeutics strategies against multidrug transporters of mycobacteria. This study paves the way for targeting multidrug and antimicrobial resistance in the mycobacteria, offering hope for developing effective treatments.