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<p>In response to the growing global threat of drug-resistant pathogens and the urgent need for novel drug candidates with diverse pharmacophoric profiles, a new series of amide-functionalized carbazole derivatives (<b>7a</b>–<b>7k</b>) was efficiently synthesized and thoroughly characterized. Extent and spectrum of potential in vitro antimicrobial efficacy of these compounds was gauged against four bacterial strains (G+ve: <i>S. aureus, S. pyogenes</i> and G−ve: <i>E. coli</i>, <i>P. aeruginosa</i>), as well as two fungal strains (<i>C. albicans</i>, <i>A. niger</i>). Several derivatives exhibited significant antimicrobial efficacy, with compound <b>7c</b> (10&#xa0;µg/mL) demonstrating up to tenfold greater activity against <i>E. coli</i> compared to Ampicillin. A moderate antifungal activity exhibited by compound <b>7a</b> which is better than Nystatin, particularly against <i>C. albicans</i> (MIC: 50&#xa0;µg/mL. Low minimum inhibitory concentration values (10–15&#xa0;µg/mL) observed for certain compounds suggest a strong foundation for further structural optimization and development of potent antimicrobial agents. Computational studies, including DFT analysis, molecular docking, ADMET profiling, and molecular dynamics simulations revealed favourable molecular conformations, strong target binding affinities, and promising drug-like properties. Among them, compound <b>7c</b> emerged as a leading candidate, showing stable interaction with the <i>E. coli</i> target enzyme (1JXA) and excellent pharmacokinetic features. These findings highlight the potential of these amide-linked carbazole scaffolds as promising leads for the development of next-generation antimicrobial agents targeting resistant pathogens.</p> Graphical Abstract <p></p>

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Exploring the antimicrobial landscape of carbazole derivatives through integration of computational and experimental approaches

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年3月25日

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  • Sanjay Soni,
  • Khushbu Patil,
  • Shruti Vishwakarma,
  • Rasana Yadav,
  • Prashant R. Murumkar,
  • Rahul Kadu

摘要

In response to the growing global threat of drug-resistant pathogens and the urgent need for novel drug candidates with diverse pharmacophoric profiles, a new series of amide-functionalized carbazole derivatives (7a–7k) was efficiently synthesized and thoroughly characterized. Extent and spectrum of potential in vitro antimicrobial efficacy of these compounds was gauged against four bacterial strains (G+ve: S. aureus, S. pyogenes and G−ve: E. coli, P. aeruginosa), as well as two fungal strains (C. albicans, A. niger). Several derivatives exhibited significant antimicrobial efficacy, with compound 7c (10 µg/mL) demonstrating up to tenfold greater activity against E. coli compared to Ampicillin. A moderate antifungal activity exhibited by compound 7a which is better than Nystatin, particularly against C. albicans (MIC: 50 µg/mL. Low minimum inhibitory concentration values (10–15 µg/mL) observed for certain compounds suggest a strong foundation for further structural optimization and development of potent antimicrobial agents. Computational studies, including DFT analysis, molecular docking, ADMET profiling, and molecular dynamics simulations revealed favourable molecular conformations, strong target binding affinities, and promising drug-like properties. Among them, compound 7c emerged as a leading candidate, showing stable interaction with the E. coli target enzyme (1JXA) and excellent pharmacokinetic features. These findings highlight the potential of these amide-linked carbazole scaffolds as promising leads for the development of next-generation antimicrobial agents targeting resistant pathogens.

Graphical Abstract