Vol. 11, Issue 2, Part C (2025)
Docking investigations between Beta-elemene and MC1R (Melanocyte Stimulating Hormone Receptor), a skin cancer gene, employing Insilico protocols
Docking investigations between Beta-elemene and MC1R (Melanocyte Stimulating Hormone Receptor), a skin cancer gene, employing Insilico protocols
Author(s)
Preetham Sai K
Abstract
The Melanocortin 1 Receptor (MC1R) gene is a protein found in skin cells that regulates melanin production and skin tone. MC1R gene mutations can increase the risk of developing melanoma, a kind of skin cancer. Beta-elemene is a phytochemical constituent of Ocimum tenuiflorum (Tulsi) as proved by current medical investigations. Hence the test chemical constituent, beta elemene against MC1R is used for the development of novel chemical compound against skin cancer. Next, we use insilico methods to observe the interaction between beta-elemene and MC1R. To conduct drug docking investigations, the normal sequence of MC1R was modified with the aid of insilico tools, and the mutant 3D structure was examined using an automated homology modelling server. CB Dock, an automated drug docking server, was used to determine the binding affinities between the test chemical, beta-elemene and MC1R, and the control medication, 5-Fluorouracil. The docking data made it abundantly evident that beta-elemene had a greater binding affinity for MC1R than the currently used anti-cancer medication, 5-flourouracil. To increase the effectiveness of current medications, beta-elemene can be taken as a supplement. Since beta-elemene is a natural substance, less adverse effects are to be expected. The results of our investigation unequivocally showed that beta-elemene is a possible treatment for skin sarcoma.
How to cite this article:
Preetham Sai K. Docking investigations between Beta-elemene and MC1R (Melanocyte Stimulating Hormone Receptor), a skin cancer gene, employing Insilico protocols . Int J Appl Res 2025;11(2):171-176.