Molecular Docking Polifenol Solution of 96% Ethanol Extract of Stevia (Stevia Rebaudiana) Leaves with Four Antiaging Enzymes
Author : Dr. Johana Fitriani and Dr. rer.nat.apt. Deni Rahmat
Abstract :
Natural plant-derived compounds and herbal-derived formulations are now widely used in line with the Indonesian Government's Domestic Component Level program. The various active ingredients are safe and work through different mechanisms of activity on skin aging signalling pathways. Stevia leaf gel contains potent constituents that can reduce wrinkles and mild acne when worn for 21 days due to its antioxidant and antimicrobial properties. The purpose of this study was to predict the anti-aging effect of 96% ethanol extract compound of Stevia Rebaudiana leaves through inhibitory pathway of Enzyme elastase, Enzyme Collagenase, Hyaluronidase and Enzyme Tyrosinase. To determine the content of polyphenolic compounds in 96% Stevia ethanol extract, the analysis was carried out using High-Performance Liquid Chromatography (HPLC) of Stevia Rebaudiana 96% ethanol extract, then physicochemical properties were analysed using PKCSM and toxicity using ProTox II online tool.
The results of the selection of 10 compounds were prepared using ChemDraw application using Chem 3D application then molecular docking was carried out with Molegro application. The results of in silico studies showed the strongest binding of Rozmarinic Acid compounds (one of the stevia polyphenols) to Elastase and Collagenase Enzymes with RMSD ≤ 2Å and the best Rerank score. Absorption of stevia compounds through the skin -2.725 logKp (<-2.5) indicates this compound has low permeability in the skin. So if used for skin-applied preparations, preparations that improve permeation must be selected, thus requiring the development of Transdermal Drug Delivery using stevia raw materials. It has a low VDss value of 0.113 log L/Kg so that in small doses it can be distributed into blood plasma. The LD50 of stevia is 1190mg/kg which means its acute toxicity is high. So that the dose, metabolism, excretion and toxicity are still being researched.
Keywords :
Stevia, Antiaging, Molecular Docking.
