Investigating the comparative effect of Dabrafenib, Vemurafenib, Trametinib and Dacarbazine drugs on the BRAF protein by molecular docking methods

چکیده

Melanoma is a type of skin cancer that originates from melanocytes, the cells responsible for producing the skin pigment melanin. It can grow rapidly and metastasize to other organs. The BRAF protein, a member of the kinase protein family, plays a crucial role in cell signaling and the regulation of cell growth and division. Approximately 40 to 60 percent of melanomas are associated with mutations in the BRAF gene, which lead to the abnormal activation of the BRAF protein. This study investigates the comparative effects of the drugs Dabrafenib, Vemurafenib, Trametinib, and Dacarbazine on the BRAF protein in melanoma using molecular docking techniques. This study investigates the comparative effects of the drugs Dabrafenib (a selective BRAF inhibitor), Vemurafenib (an enzymatic BRAF inhibitor), Trametinib (a mitogen-activated kinase inhibitor), and Dacarbazine (an alkylating agent) on the BRAF protein in melanoma using molecular docking techniques. In this study, the structure of the BRAF protein was downloaded from the UniProt database and analyzed using Chimera software. After performing several steps, including charge optimization, removal of excess ions, and water molecules, the protein was saved as the final structure. Subsequently, the three-dimensional structures of the drugs were obtained using appropriate software, and during the docking phase, the potential interactions between the drugs and the protein were assessed. The results indicated that Dabrafenib exhibited a more favorable binding energy and a better RMSD compared to the other drugs. Therefore, Dabrafenib demonstrates a superior effect on controlling the growth of cancer cells compared to Trametinib, Vemurafenib, and Dacarbazine. These findings could contribute to the improvement of therapeutic strategies in Melanoma.