In-Silico Repurposing of Antipsychotic Drugs Against Novel Protein Targets in Multidrug-Resistant Mycobacterium tuberculosis

Year : 2026 | Volume : 13 | 01 | Page :
    By

    Isha Sunil,

  1. Student, Department of Life Sciences, Jain Deemed-to-be University – School of Sciences (Under-graduate), Bengaluru, Karnataka, India

Abstract

Multidrug-resistant TB is a growing worldwide health concern, particularly in high-burden areas. Resistance to frontline drugs like isoniazid and rifampicin is caused by mutations in key Mycobacterium tuberculosis proteins. Given the difficulty of developing new antibiotics, medication repurposing offers a good alternative. The potential use of molecular docking to target resistance-associated TB proteins with FDA-approved antipsychotic drugs is investigated in this work. Three proteins were selected: InhA (PDB ID: 5W07), which is involved in the manufacture of mycolic acid; KatG (PDB ID: 1U2J), which activates isoniazid; and Rv0678 (PDB ID: 4NB5), a transcriptional repressor that regulates efflux pumps linked to drug resistance. Docking was done with AutoDock Vina. The results showed that Fluspirilene and Ziprasidone interacted strongly with KatG, but Lurasidone and Bifurprunox demonstrated favourable binding to both InhA and Rv0678. Interestingly, pimozide showed a broad spectrum of inhibitory potential since it interacted with all three proteins. These findings provide credence to the idea that certain antipsychotics may be repurposed as adjuvant treatments by disrupting several pathways of resistance in MDR-TB. More experimental validation is required to confirm their efficacy and safety.

Keywords: Mycobacterium tuberculosis, InhA, KatG, Rv0678, Molecular Docking, Antipsychotic drugs, Drug repurposing, Multidrug-resistance (MDR)

How to cite this article:
Isha Sunil. In-Silico Repurposing of Antipsychotic Drugs Against Novel Protein Targets in Multidrug-Resistant Mycobacterium tuberculosis. Research & Reviews: A Journal of Drug Design & Discovery. 2025; 13(01):-.
How to cite this URL:
Isha Sunil. In-Silico Repurposing of Antipsychotic Drugs Against Novel Protein Targets in Multidrug-Resistant Mycobacterium tuberculosis. Research & Reviews: A Journal of Drug Design & Discovery. 2025; 13(01):-. Available from: https://journals.stmjournals.com/rrjoddd/article=2025/view=232844


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Ahead of Print Subscription Review Article
Volume 13
01
Received 26/10/2025
Accepted 18/11/2025
Published 23/11/2025
Publication Time 28 Days
56

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