C. Mary Sharmila1*, R. Chithra Devi2, A. Sureka3, N. J. MuthuKumar 4, V. Banumathi5
1Resident Medical Officer, National Institute of Siddha, Tambaram Sanatorium, India
2House Officer, National Institute of Siddha, Tambaram Sanatorium, India
3Emergency Medical Officer, National Institute of Siddha, Tambaram Sanatorium, India
4Associate Professor, Hospital Superintendent, National Institute of Siddha, Tambaram Sanatorium, India
5Director, National Institute of Siddha, Tambaram Sanatorium, India
*Address for Corresponding author
C. Mary Sharmila
Resident Medical Officer, National Institute of Siddha, Tambaram Sanatorium, Tamilnadu, India
Abstract
Objective: The aim of the study is to evaluate the effect of vasicine and vasinone against tyrosinase receptor in the management of hyperpigmentation of skin diseases by molecular docking approach. Materials and Methods: The computational analysis is carried out by autodock 4 tool. The standard used is kojic acid against the target Tyrosinase receptor with PCB code 5M8M and the target proteins were retrieved from the protein data bank. Results and Conclusion: The binding free energy of vasicine and vasinone with target tyrosinase receptor is -4.76 Kcal/ mol and -4.03 Kcal/mol, respectively. The inhibition constant of vasicine and vasinone against the target are 323.7µMand 1.12mM.respectively.The intermolecular energy between vasicine and the target is -5.06 Kcal/mol and that of vasinone against the same target of human tyrosinase receptor is -4.33Kcal/mol. Vasicine and vasinone have a maximum of five interactions with the target amino acid residues when compared to the standard kojic acid which also has a maximum of 5 interaction sites. Hence it can be concluded that vasicine and vasinone possess promising tyrosinase enzyme blocking activity.
Keywords: Vasicine, Vasinone, Anti tyrosinase activity, Docking, Siddha, Kuttam, Adathoda vasica
