Insilico docking and interaction analysis of bioactive marine compound (sulfated fucose) against the human mutant p53 protein involved in carcinogenesis
نویسنده
چکیده
The p53 family plays a pivotal role in the regulation of many critical cellular functions and biological process in normal cells. The abnormal expression of p53 contributes to carcinogenesis. In an effort to develop potent anticancer drug from marine flora this study aims to evaluate the inhibition effect of sulfated fucose against cancer associated protein by computational molecular docking studies. Docking studies were performed for sulfated fucose, a monomer of a polysaccharide fucoidans with p53 protein involved in cancer by Glide 8.5 module of Schrodinger suite. Molecular docking studies of sulfated fucose with Human p53 protein exhibited binding interactions. The results showed that the selected ligand showed binding energy ranging from134.817 kcal/mol to185.738 kcal/mol.This molecular docking studies could contribute for the further development of p53 mutant inhibitors for the prevention and treatment of cancer. This study concludes that marine natural products with interesting biological properties and structural diversity may serve as valuable lead drug candidates for the treatment of human ailments including cancer of different types in close proximity to future.
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تاریخ انتشار 2012