Molecular Interactions of Mycobacterial Transporter for Novel Antimicrobial Strategies

Authors

DOI:

https://doi.org/10.18006/2025.13(1).59.71

Keywords:

Mycobacterium tuberculosis, Efflux Transporter, Protein-Ligand Interactions, MATE Transporter, Drug repurposing

Abstract

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.

Author Biographies

Arathi Radhakrishnan, Amity Institute of Biotechnology, Amity University Uttar Pradesh, Noida, India.

Amity Institute of Biotechnology, Amity University Uttar Pradesh, Noida, India.

Manisha Gurnani, Amity Institute of Environmental Science, Amity University Uttar Pradesh, Noida, India.

Amity Institute of Environmental Science, Amity University Uttar Pradesh, Noida, India.

Priyanka Gopi, Amity Institute of Forensic Sciences, Amity University Uttar Pradesh, Noida, India

Amity Institute of Forensic Sciences, Amity University Uttar Pradesh, Noida, India

Abhishek Chauhan, Amity Institute of Environmental Toxicology and Safety Management, Amity University Uttar Pradesh, Noida, India

Amity Institute of Environmental Toxicology and Safety Management, Amity University Uttar Pradesh, Noida, India

Prateek Pandya, Amity Institute of Forensic Sciences, Amity University Uttar Pradesh, Noida, India

Amity Institute of Forensic Sciences, Amity University Uttar Pradesh, Noida, India

Raj Kishor Kapardar, Microbial Division, The Energy and Resources Institute, New Delhi, India

Microbial Division, The Energy and Resources Institute, New Delhi, India

Rajpal Srivastav, Amity Institute of Biotechnology, Amity University Uttar Pradesh, Noida, India.

Amity Institute of Biotechnology, Amity University Uttar Pradesh, Noida, India.

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2025-03-05

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Radhakrishnan, A., Gurnani, M., Gopi, P., Chauhan, A., Pandya, P., Kapardar, R. K., & Srivastav, R. (2025). Molecular Interactions of Mycobacterial Transporter for Novel Antimicrobial Strategies. Journal of Experimental Biology and Agricultural Sciences, 13(1), 59–71. https://doi.org/10.18006/2025.13(1).59.71

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