Analisis Peptida Bioaktif dari Protein Globulin 11S Biji Salvia hispanica L. sebagai Inhibitor a-Thrombin (IIA) secara in Silico

Abstract

Background: Thrombosis is known to cause a heart attack if it occurs in the coronary artery. Peptides of Salvia hispanica L. as an antithrombotic against both intrinsic and extrinsic coagulation pathways. The in silico approach in bioactive peptide research enables to optimize production, produce the discovery of peptides and advance knowledge of the mechanisms of action of bioactive peptide and target receptors. Objective: The study aimed to predict that the protein globulin 11S of the Salvia hispanica L. seed, which is hydrolysed with the enzymes pepsin, tripsin, and chymotripsin has potential as an inhibitor of alpha thrombin (IIa) in silico. Methods: The study analyzed the prediction of biological activity used PASS Online and BIOPEP website, physiochemical profile used SCFBio website, pharmacokinetics used SwissADME website, allergenicity used AllerTop website and toxicity used ToxinPred as well as molecular retention on the thrombin receptor. Results: Based on the results of the study, it is known that 43 peptides are predicted to have antithrombotic activity used PASS Online, 67 peptides met Lipinski's Rule of Five parameters, 23 peptides met SwissADME parameters and 83 are nonallergenic and 174 are non-toxic. From the docking results obtained binding affinity values between peptides with thrombin inhibitors ranging from -5,144 to -7,892; binding afinity value of native ligand is -4,940; comparator binding affinity value is -7,633. The results of the amino acid residue analyzed showed that all the protein peptides globulin 11S seeds of Salvia hispanica L. have similarity of amino acid residue with native ligands and comparators. The FVL peptide has the smallest binding affinity value of -7,557 obtained through hydrolysis using pepsin enzymes and this peptide met all the test parameters. Conclusion: The protein globulin peptide 11S of the seed of Salvia hispanica L. had antithrombotic activity, with test results showed that some peptides have inhibitory activity on the thrombin receptor in silico.