Natural active ingredient adsorbed on the skin membrane insights from Molecular Dynamics Simulation

Abstract

In recent years, the combination of computational models and experiments has become a helpful tool that is proving  increasingly important role in explaining complex biological interactions on a molecular scale. This article provides an overview of the application of molecular dynamics simulation to simulate the adsorption of natural active substances on the skin, which is paying close attention to cosmetic and pharmaceutical applications. Accordingly, the article provides information on the current use of cosmetic and pharmaceutical products on the skin, information on the structure of human skin, the mechanism of penetration of active substances through the skin surface, experimental modeling to determine the penetration of active substances through the skin, method of molecular dynamics simulation and the application of this method to simulate the absorption of natural active substances through the skin. The study of the adsorption of natural active substances through the skin surface by molecular dynamics simulation is a completely new field in Vietnam.