Caffeine Docking Studies with Keratin: Implications for Its Cosmetic Applications

The document presents a theoretical study on the role of caffeine in hair growth and cosmetic applications, specifically skin care, through docking studies using Auto Dock and Auto Dock Tools version 4.2. The results show that caffeine has a high keratin binding affinity (ΔG −4.3 kcal/mol), suggesting its potential use in hair growth formulations and skin care applications. The study also highlights that caffeine interacts with the 4ZRY protein, a human hair protein keratin, through van der Waals attraction and Alkyl / Pi- Alkyl side chains. However, the data reported in this study requires further validation through in vitro and in vivo experiments.