In silico studies of natural compounds of Centella Asiatica as anti-aging and wound healing agents

Molecular docking is a bioinformatics tool used to study and analyze ligand-receptor interactions. Centella asiatica (CA) known as an herbal medicine for many diseases. Madecassic acid, madecassoside, asiatic asiaticoside are compounded from CA potentially antiaging wound healing agents. This aimed evaluate the potential of anti-aging through molecular docking. The was carried out on proteins associated with antioxidant, collagen degradation pathway, inflammatory processes. Glide, ADME/T using QikProp, binding free energy calculations employed Prime/MM-GBSA module Schrodinger suite 2020-2. MM-GBSA showed specific interactions high affinity within pocket ligand. in silico properties were predicted that compounds may follow criteria oral topical active drugs. theoretical calculation derived provided in-depth information into structural basis, bonding, nonbonding governing inhibition Taken together, these findings provide basis recommendation high-affinity ligands drug candidates healing.