Synthesis, Identification and in-silico Approach for wound Healing Potential in Gnaphalium polycaulon Extracts

Aim/Background: The secondary metabolites can be identified from G. polycaulon and used as effective compounds for wound healing potential. The aims of the present study to identify the metabolites from G. polycaulon extracts by in silico study. Methods: The extraction of aqueous and methanolic G. polycaulon leaf extracts was subjected to characterization for silver nanoparticles. The phytoconstituents of the plant was analyzed by standard quantitative and quantitative methods. Then, the silver nanoparticles was synthesized and can be used for further in silico studies. Protein-ligand docking and modeling were studied by pharmacodynamics and kinetic study. Results: The identified bioactive metabolites were reported for in silico docking analysis. The similarity toolbox will give an easily utilized option for the identification of phytoconstituents with similar ligands based on a similarity score level. Greater interaction with target proteins has been observed for 2J67 (Toll-like receptor), 4MBS (Chemokine receptor), 1PWA (fibroblast growth factor), 4GR9 (melatonin receptor), 1A52 (estrogen receptor) and 2RH1 (adrenergic receptor) were docked with ligand from GC-MS compounds of selected test extracts and can easily find similarity score among all specific molecules in a simplified manner. Conclusion: the present study was the first report about the pharmacological activity of the G. polycaulon plant in the southern part of India. This plant possesses much beneficial ability due to bioactive phytocompounds. Thus, the present study concluded the ligands related to wound healing potential could be used for novel drug discovery in wound management.

Automated summary

The study identified bioactive metabolites from G. polycaulon extracts and found that these compounds interacted with specific proteins. The similarity toolbox provided a convenient way to find plant phytoconstituents with similar ligands. G. polycaulon plant has the potential for wound healing and could be used for novel drug discovery.