Evaluation of the antibacterial and antioxidant potential of the endophytic fungus EFY14 from <i>Cannabis sativa</i> L. leaves through metabolomics and molecular docking

Endophytic fungi are prolific sources of natural antioxidants and antibacterial agents. This study aims to isolate and identify the endophytic fungus EFY14 from <i>Cannabis sativa</i> L. leaves and to evaluate the antibacterial and antioxidant activities of its culture filtrates. Non-targeted metabolomics was employed to chemically profile the EFY14 crude extract, a potential biological targets were predicted through molecular docking and molecular dynamics simulations. EFY14 was taxonomically identified as belonging to the <i>Chaetomium</i> genus. Its extract contained 20.823 ± 1.449 mg gallic acid equivalent (GAE)/L total phenolic and 0.230 ± 0.007 mg rutin equivalent (RE)/mL total flavonoids, displaying antioxidant and antibacterial activities. Metabolomic profiling identified flavonoids and phenolic compounds, including 4',7-dihydroxy-8-methylisoflavone, scopoletin, xanthohumol, tricin, sophoraflavanone G, prenyl glucoside, melilotoside and maltol. Molecular docking indicated potential molecular targets for these metabolites. These findings suggest that EFY14 derived endophytic fungi from <i>C. sativa</i> L. may represent a novel source of antioxidant and antibacterial compounds.