Chemical characterization and biological activity of Molineria latifolia root extract as dermal antiaging: Isolation of natural compounds, in silico and in vitro study

Premature skin-aging is a disorder in human skin tissue caused by the effects of environmental factors. It is important to prevent and treat this disorder using natural ingredients. One of them is the Molineria latifolia plant, which is reportedly anti-aging. This study aims to characterize the chemical content of M. latifolia extract and evaluate its biological activity as a skin anti-aging. The 70% ethanol extract of M. latifolia roots was fractionated by a chromatography column using a solvent based on a gradient. The fractions obtained were evaluated for antioxidant, anti-tyrosinase, and anti-elastase activities. The active fraction was purified, and its chemical structure was characterized. The compounds were assessed for anti-aging activity in silico using 2Y9X and 3HGN proteins and continued with in vitro evaluation. The isolation results obtained six secondary metabolite compounds, namely 2,6 dimethoxy-benzoic acid (1), curculigoside-A (2), curcapital (3), syringic acid (4), 2-hydroxy-4-methoxybenzyl-2,3-dihydroxy-5-methoxybenzoate or curlatifolia-SN (5), and luteolin (6). Compound 5 is newly phenolic discovered and has not been reported in previous research. Compounds 3, 5, and 6 interact best with 2Y9X (tyrosinase) and 3HGN (elastase) proteins in silico based on the obtained binding affinity. In vitro activity shows that compounds 3, 5, and 6 have strong to very strong activity inhibiting 2,2-diphenyl-1-picrylhydrazyl (DPPH) radicals, tyrosinase, and elastase. Compounds 3, 5, and 6 inhibit tyrosinase through a mixed inhibition mechanism, while elastase inhibits competitively. Compounds 3, 5, and 6 are phenolic derivatives with the best anti-aging activity, which can be used as anti-aging skin agent for future development.