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Article

In silico structural and mechanical insights into bedaquiline resistance associated with high-grade non-synonymous mutations in atpE, mmpR5, and pepQ.

Journal of biomolecular structure & dynamics - 1 Jan 2024

Chakraborty Gourav, Nath I V Ambily, Sharma Mukta, Sheth Jigar, Kori Mahima, Tiwari Avlokita, Patra Niladri

Abstract excerpt

Clinical resistance against bedaquiline (BDQ) remains intractable to anti-tuberculosis therapies since its introduction to the market over a decade ago. Herein, we investigated the structural and mechanical aspects of BDQ resistance in AtpE, MmpR5, and PepQ. The known target-specific resistant single non-synonymous mutations were refined to high-grade candidates. Thus, 7 (AtpE), 5 (MmpR5), and 1 (PepQ) single...

Topics

Antitubercular Agents
Diarylquinolines
Polymorphism, Single Nucleotide
Mutation
Bacterial Proton-Translocating ATPases
Dipeptidases
Drug Resistance, Bacterial
Tuberculosis
Mycobacterium tuberculosis

Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

Molecular Docking Simulation

Humans

Source

Identifiers

PMID: 37728541
DOI: 10.1080/07391102.2023.2259486

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 30 Aug 2026.

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