Theoretical study of the substitution effect on the protein/protein interaction: Application on diabet desease

Abstract

Diabetes pathology present actualy a real public health problem. In order to highlight the most favored modes of interaction between insulin and its receptor, and thus elucidated the substitution effect of sulfur by other element (selinum) in the receptor bridges on its affinity for the insulin, we elaborate a theoretical study by molecular modeling namely molecular docking (more commonly known as docking) between insulin and the insulin receptor with disulphide bridges and diselenide bridges. Complexes (insulin/receptor) stability was elucidated using molecular dynamics methodes. Our results show that there is a difference between the interaction energies. Indeed, the selinium substitution of sulfur implied good complementarity between is insulin and its receptor this is in good agreement with several experimental findings.