Chemical Profiling and Evaluation of Antibacterial and Anticancer Potential of Endophytic Aspergillus Terreus GCD2 Isolated from Garcinia Cowa Roxb. ex Choisy: In Vitro and Silico Approaches
DOI:
https://doi.org/10.48048/tis.2026.11378Keywords:
Garcinia cowa Roxb. ex Choisy, Aspergillus terreus, Endophytic fungi, Antibacterial, Cytotoxicity, Molecular docking, Aurasperone B, Fonsecinone BAbstract
Garcinia cowa Roxb. ex Choisy, a medicinal plant rich in bioactive secondary metabolites, has long been used in traditional medicine for its diverse therapeutic properties. Endophytic fungi associated with medicinal plants have emerged as promising sources of pharmacologically active compounds with antibacterial and anticancer potential in recent years. This study investigates an endophytic fungus isolated from G. cowa leaves, identified as Aspergillus terreus GCD2 (93.56% BLAST score) through macroscopic, microscopic, and molecular characterization. Crude extracts of GCD2, obtained using ethyl acetate, were profiled via LC-MS/MS, revealing Aurasperone B and Fonsecinone B as the predominant secondary metabolites. Antibacterial activity, evaluated using the Kirby-Bauer diffusion method, showed inhibition against methicillin-resistant Staphylococcus aureus (MRSA) with a zone diameter of 12.44 mm. Cytotoxicity testing demonstrated potent bioactivity, with LC₅₀ and IC₅₀ values of 79.45 μg/mL (Brine Shrimp Lethality Test) and 14.45 μg/mL (MTT assay on MCF-7 breast cancer cells), respectively. Molecular docking simulations indicated strong binding affinities of Aurasperone B and Fonsecinone B to MRSA and breast cancer-related receptors. Against MRSA, both compounds interacted with Asn120 adjacent to the canonical binding site, yielding docking scores of –7.11 and –7.09 kcal/mol (RMSD_refine 0.98 Å and 0.91 Å). Against breast cancer receptors, they bound to Arg146 and Tyr202, with docking scores of –6.00 and –6.20 kcal/mol (RMSD_refine 1.28 Å and 1.32 Å). These findings highlight A. terreus GCD2 as a promising source of antibacterial and anticancer agents. Further research focusing on compound isolation, mechanistic studies, and in vivo validation is warranted to advance its pharmaceutical potential.
HIGHLIGHTS
Aspergillus terreus GCD2 was isolated from Garcinia cowa Roxb. ex Choisy (Asam kandis) leaves. Novel bioactive metabolites were identified via LC-MS/MS, indicating strong antibacterial and anticancer potential. Antibacterial activity against methicillin-resistant Staphylococcus aureus (MRSA) showed measurable inhibition. Cytotoxicity was confirmed through Brine Shrimp Lethality Test (BSLT) and MTT [3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium Bromide] assays, demonstrating significant in vitro effects. Molecular docking revealed strong interactions of key compounds (e.g., Aurasperone B, Fonsecinone B) with MRSA- and breast cancer-related target proteins. Results support the potential of A. terreus GCD2 metabolites for pharmaceutical development as anti-MRSA and anticancer agents.
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