Objective: The objectives of this research were to investigate in silico interaction between apigenin and apigetrin with 3-hydroxy-3-methyl-glutaylcoenzyme A (HMG Co-A) reductase, to find the most favorable binding site as well as to predict the binding mode.
Materials and Methods:Docking calculation was performed by branded Sony Vaio PC Linux Ubuntu 14.04 LTS. The binding process based on the best docking result with HMG Co-A reductase was presented in two-dimensional diagram. Statin, atorvastatin, and R-mevalonate were used as standard.Results: Binding affinity and inhibition constant of R-mevalonate were Ei=−4.2 kcal/mol, Ki=836.78 µM; apigenin Ei=−7.0 kcal/mol, Ki=7.43 µM; apigetrin Ei=−5.9 kcal/mol, Ki=47.53 µM; simvastatin Ei=−8.2 kcal/mol; Ki=0.98 µM; atorvastatin Ei=−8.4 kcal/mol; Ki=0.7 µM. Apigenin had better binding interaction than apigetrin.
Conclusion:Apigenin could be developed as anticholesterol.