In-Silico Design of Novel Glucagon-Like Peptide 1 Mutants as Candidate for New Peptide Agonist Drugs

The binding of glucagon-like peptide 1 (GLP-1) incretin hormone and its receptor GLP-1R plays an important role in the human body. GLP-1 acts as insulin secretion stimulator through a agonist activation to avoid type 2 diabetes mellitus problem. A recent development computational sciences has enabled us design new mutant which better stability GLP-1R. In this paper, we have conducted in-depth analysis protein-protein docking determine responsible factors affecting stability. was analyzed by performing point mutations on structure running molecular dynamics simulation docked structures. Five mutants, Lys20Arg, Lys20His, Lys20Ser, Lys20Gly, Lys20Ala, been created computationally with tested via free energy perturbation calculation search for best-binding mutant. Our results shown that Lys20His best potential be developed drug based affinity structural integrity compared other mutants drugs available market exenatide, liraglutide.