Bioactive Compounds from Trentepohlia aurea as Potential Antibacterial Agents Targeting DNA Gyrase: An In Vitro and In Silico Approach
DOI:
https://doi.org/10.48048/tis.2026.11324Keywords:
Antibacterial, DNA Gyrase, GC-MS, In Silico, Molecular Docking, Trentepohlia aurea, Antibacterial, DNA gyrase, GC-MS, In silico, Molecular docking, Trentepohlia aureaAbstract
The global rise of antibiotic resistance underscores the urgent need for novel antibacterial agents with new mechanisms of action. Trentepohlia aurea, a carotenoid- and phenolic-rich subaerial green alga, remains largely unexplored for its therapeutic potential. This study evaluated the antibacterial activity of its methanol extract via in vitro disc diffusion assays and investigated the interaction of its bioactive constituents with bacterial DNA gyrase subunit B (PDB ID: 6KZZ) through in silico molecular docking. The extract produced inhibition zones of 11.3 ± 0.55 mm against Staphylococcus aureus, 10.9 ± 0.21 mm against Salmonella Typhii, and 10.8 ± 0.61 mm against Streptococcus mutans, indicating moderate antibacterial activity. GC-MS profiling identified 26 compounds, with Aphthosin exhibiting the strongest predicted gyrase-binding affinity (–7.4 kcal/mol), surpassing a native ligand. ADME-toxicity predictions suggested generally favorable pharmacokinetics with low toxicity, though some compounds displayed organ-specific risks. While MIC/MBC determinations and direct in vitro testing of individual compounds were not performed, this first report on T. aurea as a potential DNA gyrase inhibitor highlights its promise as a source of structurally diverse natural products for antibacterial drug discovery and warrants further mechanistic validation and potency optimization.
HIGHLIGHTS
This study demonstrates the antibacterial potential of Trentepohlia aurea, with its methanol extract showing notable inhibition against S. aureus and S. typhii. GC-MS analysis identified 26 bioactive compounds, with in silico docking highlighting Aphthosin as the top candidate (–7.4 kcal/mol) for binding to bacterial DNA gyrase (6KZZ). ADME and toxicity predictions indicated favourable pharmacokinetic profiles and generally low toxicity. While the findings support the potential of T. aurea as a natural antibacterial agent targeting DNA gyrase, the study is limited to GC-MS identification without isolation or purification of key compounds such as Aphthosin for further biological validation.
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