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<p>Mushrooms are a rich source of bioactive metabolites with promising pharmaceutical and nutraceutical applications. In this study, bioactive constituents from <i>Calocybe indica</i> extracts prepared using different solvents were characterized and evaluated for their antibacterial, cytotoxic, and phytochemical properties against <i>Aeromonas hydrophila</i><i>, </i>pathogenic to fish. The ethyl acetate extract showed the highest antibacterial activity in diffusion assays and was enriched with phenolic compounds (391.66 ± 2.09&#xa0;mg GAE/g), total carotenoids (1.47 ± 0.23&#xa0;mg/g), lycopene (0.025 ± 0.02&#xa0;mg/g), and strong antioxidant activity (900.66 ± 1.36&#xa0;mg DPPH assay). Thin-layer chromatography (Rf = 0.17, 0.66, 0.89), FTIR, Raman, and 1&#xa0;H NMR analyses confirmed the presence of diverse functional groups and bioactive molecules. Gas chromatography–mass spectrometry revealed ten major compounds, among which tetradecane, dodecane, and pentadecane exhibited the strongest binding affinity with the siderophore-interacting protein (SipS) of <i>A. hydrophila</i> in molecular docking studies. These findings highlight the therapeutic potential of <i>C. indica</i> as a natural source of antimicrobial and antioxidant agents, with promising nutraceutical relevance and potential applications in supporting dietary antioxidant intake and functional food development.</p>

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Bioactivity, Structural Characterization and Molecular Docking Simulation Studies of Cultivated Milky Mushroom (Calocybe indica)

  • 期刊论文

  • 发表日期：

    2026年5月29日

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  • Gurusamy Chelladurai,
  • Krishnagowdu Saravanan

摘要

Mushrooms are a rich source of bioactive metabolites with promising pharmaceutical and nutraceutical applications. In this study, bioactive constituents from Calocybe indica extracts prepared using different solvents were characterized and evaluated for their antibacterial, cytotoxic, and phytochemical properties against Aeromonas hydrophila, pathogenic to fish. The ethyl acetate extract showed the highest antibacterial activity in diffusion assays and was enriched with phenolic compounds (391.66 ± 2.09 mg GAE/g), total carotenoids (1.47 ± 0.23 mg/g), lycopene (0.025 ± 0.02 mg/g), and strong antioxidant activity (900.66 ± 1.36 mg DPPH assay). Thin-layer chromatography (Rf = 0.17, 0.66, 0.89), FTIR, Raman, and 1 H NMR analyses confirmed the presence of diverse functional groups and bioactive molecules. Gas chromatography–mass spectrometry revealed ten major compounds, among which tetradecane, dodecane, and pentadecane exhibited the strongest binding affinity with the siderophore-interacting protein (SipS) of A. hydrophila in molecular docking studies. These findings highlight the therapeutic potential of C. indica as a natural source of antimicrobial and antioxidant agents, with promising nutraceutical relevance and potential applications in supporting dietary antioxidant intake and functional food development.