HR-LCMS and Molecular Docking Analysis of Phytochemicals from Adiantum spp. Reveal Potential Wound Healing Candidates

نویسندگان

1 MET's Institute of Pharmacy, Bhujbal Knowledge City, Adgaon, Nashik, Maharashtra, India, affiliated to Savitribai Phule Pune University, India

2 MET's Institute of Pharmacy, Bhujbal Knowledge City, Adgaon, Nashik, Maharashtra, India, affiliated to Savitribai Phule Pune University, India

doi
10.48309/chemm.2025.520891.1952
چکیده

This study involved the evaluation of bioactive compounds from Adiantum philippines using molecular docking and HR-LCMS analyses to identify candidates for wound healing. The methanolic extract of Adiantum philippines fraction shows the presence of total phenolic content at 121.87 ± 4.09 mg gallic acid equivalents per gram, as well as the highest total flavonoid content at 69.54 ± 3.54 mg quercetin equivalents per gram. Molecular docking revealed that lucuminamide and Adiantone had the highest binding affinity with TGF-β (-11.8 kcal/mol). In antibacterial activity 100 µg/mL concentration, the methanolic extract of Adiantum philippines produced inhibition zones measuring 21.8 ± 0.3 mm for E. coli and 22.2 ± 0.7 mm for S. aureus, whereas the chloroform extract Showed inhibition zones of 22.9 ± 0.7 mm for Escherichia coli and 21.4 ± 0.8 mm for Staphylococcus aureus. Molecular docking suggests potential candidates for wound healing, and may provide a basis for further therapeutic research.