ИСТИНА

The skin is a protective barrier that prevents the entry of foreign substances into the body. At present, it has been proven that there are 2 main routes of penetration of various substances through intact skin: transfollicular and transepidermal. From both toxicological and therapeutic points of view, it is important to predict the way in which the drug penetrates the skin. Various strategies are being developed to overcome the impermeability of stratum corneum (SC), the main barrier to transepidermal drug penetration. One of the most studied ap- proaches is to increase the permeability of drugs through the skin with the use of special substances that accelerate the penetration of drugs through the skin: chemical penetration enhancers (CPE). The use of combinations of chemical enhancers is upon great interest due to a synergistic effect, which leads to a higher level of skin permeability to the active substance, what is especially important for the purposes of cosmetology, in wound healing, etc. In the present study, we used in silico approaches to model the mechanisms of interaction of CPEs with a model membrane of SC. We used all-atom (CHARMM36) and coarse grained (MARTINI) models of the membranes and chemicals. As the result we characterized the parameters of the interaction of the two selected enhancers and the active substance with the model skin membrane. The research is supported by the Russian Science Foundation under grant 19-71-00109.