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<p>Antimicrobial resistance has become a growing global concern, and there is an urgent need for novel antibiotics. Many Cyanobacterial strains produce important biologically active secondary metabolites, including antimicrobial compounds. In this study, <i>Desmonostoc</i> sp., a Nostocalean cyanobacterium identified using polyphasic approaches, was investigated for antimicrobial metabolites, leading to the isolation of a fraction containing laucysteinamide A (LcA)-like metabolite. A bioassay-guided fractionation method was employed to extract and purify this compound using various chromatography techniques, including HPLC. The bioactive fraction was examined by FT-IR, ESI-MS, HR-MS, LC-MS/MS, and ¹H NMR spectroscopy. The fraction shows moderate antibacterial activity against five pathogenic bacteria, and the MIC values were found to be 12.5 <InlineEquation ID="IEq1"> <EquationSource Format="TEX">\(\:\mu\:g/\)</EquationSource> </InlineEquation>ml against <i>B. subtilis</i> MTCC 121, <i>E. coli</i> MTCC 1667, <i>S. typhimurium</i> MTCC 98, <i>L. monocytogenes</i> MTCC 657, and 6.25 <InlineEquation ID="IEq2"> <EquationSource Format="TEX">\(\:\mu\:g/\)</EquationSource> </InlineEquation>ml against <i>S. aureus</i> MTCC 96. Molecular docking and MD simulation study revealed the strong and stable binding affinities of LcA against Dihydrofolate reductase enzyme, a well-established antibiotic target, by interfering with its NADP binding site, and binding affinity was found to be -9.29&#xa0;kcal/mol for <i>E. coli</i>, − 6.86&#xa0;kcal/mol for <i>B. subtilis</i>, − 6.64&#xa0;kcal/mol for <i>S. typhimurium</i>,  7.24&#xa0;kcal/mol for <i>L. monocytogenes</i>, and − 8.20&#xa0;kcal/mol for <i>S. aureus</i>, respectively. The ADMET predictions suggest that LcA is a promising drug candidate due to its compliance with Lipinski’s Rule of Five, a good bioavailability score, and favorable pharmacokinetic features. The findings underscore the therapeutic potential of the bioactive fraction as an effective antibacterial agent, providing valuable insights for future drug development.</p>

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Broad-spectrum antibacterial activity of a bioactive fraction containing laucysteinamide A-like metabolite from the soil crust cyanobacterium Desmonostoc sp.

  • 期刊论文

  • 发表日期：

    2026年7月28日

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  • Anupam Kundu,
  • Animesh Sen,
  • Sk Aftabul Alam,
  • Sikha Mandal,
  • Jnanendra Rath

摘要

Antimicrobial resistance has become a growing global concern, and there is an urgent need for novel antibiotics. Many Cyanobacterial strains produce important biologically active secondary metabolites, including antimicrobial compounds. In this study, Desmonostoc sp., a Nostocalean cyanobacterium identified using polyphasic approaches, was investigated for antimicrobial metabolites, leading to the isolation of a fraction containing laucysteinamide A (LcA)-like metabolite. A bioassay-guided fractionation method was employed to extract and purify this compound using various chromatography techniques, including HPLC. The bioactive fraction was examined by FT-IR, ESI-MS, HR-MS, LC-MS/MS, and ¹H NMR spectroscopy. The fraction shows moderate antibacterial activity against five pathogenic bacteria, and the MIC values were found to be 12.5 \(\:\mu\:g/\) ml against B. subtilis MTCC 121, E. coli MTCC 1667, S. typhimurium MTCC 98, L. monocytogenes MTCC 657, and 6.25 \(\:\mu\:g/\) ml against S. aureus MTCC 96. Molecular docking and MD simulation study revealed the strong and stable binding affinities of LcA against Dihydrofolate reductase enzyme, a well-established antibiotic target, by interfering with its NADP binding site, and binding affinity was found to be -9.29 kcal/mol for E. coli, − 6.86 kcal/mol for B. subtilis, − 6.64 kcal/mol for S. typhimurium,  7.24 kcal/mol for L. monocytogenes, and − 8.20 kcal/mol for S. aureus, respectively. The ADMET predictions suggest that LcA is a promising drug candidate due to its compliance with Lipinski’s Rule of Five, a good bioavailability score, and favorable pharmacokinetic features. The findings underscore the therapeutic potential of the bioactive fraction as an effective antibacterial agent, providing valuable insights for future drug development.