Anti-vitiligo effect of Thespesia populnea L. bark against Tyrosinase enzyme using In-silico model

Abstract

Background: Siddha medicine is one among the popular traditional systems of medicine in treating various diseases. Vitiligo is a primary autoimmune de-pigmentary disorder. Generally, melanin pigment production is diminished in vitiligo. By improving tyrosinase activity, melanogenesis can be achieved in vitiligo. Hence the phytocomponents which bind with the target Tyrosinase enzyme, act as a potential treatment for vitiligo. Objective: The objective of this study is to find the lead molecules that bind with these core bio active amino acid residues namely His 190, His54, His63, His194, His38 and His216.These bioactive residues mediates the enzymatic action of tyrosinase enzyme and tends to enhance the action of tyrosinase enzyme which improves melanogenesis. Methods: Auto dock program was used for the molecular docking studies against Tyrosinase enzyme. Results: From reported data of the herb, the phytochemicals Myricetin reveals highiest of 4 interactions with the core active amino acid residues of the target Tyrosinase enzyme.Second highiest level is reached by the compounds such as Catechin, Apigenin and Cinnamic acid with the 3 interactions with the active site . Gallic acid and Quercetin reveal 2 interactions over the target enzyme. From the results of docking study of the herb, the leads such as Catechin, Myricetin, Apigenin and Cinnamic acid possess 3-4 interactions with core target amino acids of Tyrosinase enzyme and helps in treatment and management of vitiligo. Conclusion: These phytochemicals exhibit anti-vitiligo activity by harmonising the action of tyrosinase enzyme in vitiligo treatment. Further clinical trials need to be performed for identifying the efficacy and effectiveness of Thespesia populnea in the treatment and management of vitiligo.