Caffeine docking studies with keratin: Implications for its cosmetic applications

Abstract

Keratin is found in hair, nails, horn, hoofs, and wool, as well as the epithelial cells of the skin's outer layers. Keratin is a structural and protective protein found in the epithelium. Some keratins also regulate biological functions like cell proliferation and protein synthesis. Keratins help build hair, nails, and the skin's outer layer. They are present on the lining of organs, glands, and other bodily cells. In this work, we have given theoretical evidence to emphasize the role of caffeine, in hair growth and cosmetic applications (skin) through docking studies. Auto Dock and Auto Dock Tools version 4.2 were used to dock molecules. The results show, higher keratin binding affinity of caffeine (ΔG −4.3 kcal/mol) suggests that caffeine could involve in hair growth formulations and skin care applications which make them suitable for cosmetic application. The reported data requires in vitro and in vivo validation.