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Abstract <p>Tuberculosis (TB) caused by <i>Mycobacterium tuberculosis</i> (<i>Mtb</i>) continues to pose a major global health challenge, resulting in millions of infections and deaths annually. The treatment of TB is complicated by prolonged therapy, drug toxicity, reduced efficacy, and its frequent association with HIV co-infection. The emergence of drug-resistant <i>Mtb</i> strains has led to the failure of first- and second-line therapies, highlighting the urgent need for new antitubercular agents. In this context, hybrid drug design approaches have gained increasing attention. In the present study, a series of novel 3-(3-phenyl-1<i>H</i>-pyrazol-1-yl)-1<i>H</i>-indole derivatives were synthesized and structurally characterized. These compounds were evaluated in vitro against three <i>Mtb</i> strains, including H37Rv. Furthermore, molecular docking studies were conducted to assess the binding interactions and affinities of the synthesized ligands with the enoyl–acyl carrier protein reductase (InhA) enzyme (PDB ID: 4TZK), a validated target for antitubercular therapy.</p>

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Assessment of the Antitubercular Potential of 3-(3-Phenyl-1H-pyrazol-1-yl)-1H-indole Derivatives Using In Vitro and In Silico Approaches

  • 期刊论文

  • 发表日期：

    2025年9月1日

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  • K. M. Zabiulla,
  • A. Ranganatham,
  • P. Ranjan,
  • Y. Shivaraj

摘要

Abstract

Tuberculosis (TB) caused by Mycobacterium tuberculosis (Mtb) continues to pose a major global health challenge, resulting in millions of infections and deaths annually. The treatment of TB is complicated by prolonged therapy, drug toxicity, reduced efficacy, and its frequent association with HIV co-infection. The emergence of drug-resistant Mtb strains has led to the failure of first- and second-line therapies, highlighting the urgent need for new antitubercular agents. In this context, hybrid drug design approaches have gained increasing attention. In the present study, a series of novel 3-(3-phenyl-1H-pyrazol-1-yl)-1H-indole derivatives were synthesized and structurally characterized. These compounds were evaluated in vitro against three Mtb strains, including H37Rv. Furthermore, molecular docking studies were conducted to assess the binding interactions and affinities of the synthesized ligands with the enoyl–acyl carrier protein reductase (InhA) enzyme (PDB ID: 4TZK), a validated target for antitubercular therapy.