In Silico Evaluation of the Antioxidant, Anti-Inflammatory, and Dermatocosmetic Activities of Phytoconstituents in Licorice (Glycyrrhiza glabra L.)

The global demand for herbal cosmetics is vastly increasing due to their health benefits and relative safety. Glycyrrhiza spp. extracts are used in cosmetic preparations skin-whitening, antisensitizing, anti-inflammatory properties. aim of this work computationally evaluate the bioactive constituents licorice (Glycyrrhiza glabra L.) that possess antioxidant, anti-inflammatory, dermatocosmetic activities, elucidate dynamics molecular targets. methods skin permeability prediction, target docking, dynamic simulation (MDS). results show that, at a permeation cut-off value −6.0 cm/s, nine phytoconstituents (furfuraldehyde, glucoliquiritin apioside, glycyrrhizin, isoliquiritin, licopyranocoumarin, licuraside, liquiritigenin, liquiritin, liquiritin apioside) were workable. Molecular prediction indicate probability tyrosinase, 11-beta-hydroxysteroid dehydrogenase 1 (HSD11B1), monoamine oxidase B, steroid 5-alpha-reductase 1, cyclo-oxygenase-1. On basis apioside glycyrrhizin had best anti-inflammation, activities. MDS complexes good stability, MMGBSA satisfactory binding energy. Overall, study demonstrates potential antioxidants could enhance histological dermal epidermal properties, reduce level inflammatory wrinkling markers.