Studi In Silico dan Pengaruh Gugus Metoksi pada Hasil Sintesis Analog Kalkon terhadap Inhibisi Enzim α-glukosidase

Abstract

Chalcone is a flavonoid group with many activities, one of which is antidiabetic. In this research, an in silico study, synthesis and bioactivity test of three chalcone compounds were carried out as inhibitors of the α-glucosidase enzyme. The test results were compared with acarbose as a positive control. The synthesis using the irradiation method. The product structure was characterized by UV-Vis, FTIR and 1 H NMR. In silico results through molecular docking using the MOE 2020 application, it was found that the three chalcone compounds had bond-free energy values, namely -6.3207 (chalcone 1); -6.4018 (chalcone 2), and -5.9895 (chalcone 3) while acarbose has a value of -6.3415. From the interaction between the ligand and the amino acids of the target protein, it was found that chalcones 1 and 3 had amino acids in common with the positive control as many as 13 amino acids compared to chalcone 2 as many as 12 amino acids. From the RMSD value, chalcone 3 showed a better value . From the results of bioactivity testing against -glucosidase enzyme inhibition, it was found that chalcone 3 had the smallest IC50 value of 371.8 ppm compared to chalcone 1 and 2, which were >1000 and 715.9 ppm