IN SILICO STUDY OF APIGENIN AND APIGETRIN AS INHIBITOR OF 3-HYDROXY-3-METHYL-GLUTAYL-COENZYME A REDUCTASE

Authors

  • Dwintha Lestari Pharmacology-Clinical Pharmacy Research Group School of Pharmacy, Bandung Institute of Technology, Indonesia
  • Elin Yulinah Sukandar Department of Pharmacology-Clinical Pharmacy, School of Pharmacy, Bandung Institute of Technology, Bandung, Indonesia.
  • Irda Fidrianny Department of Pharmaceutical Biology, School of Pharmacy, Bandung Institute of Technology, Bandung, Indonesia.

DOI:

https://doi.org/10.22159/ajpcr.2017.v10i11.20493

Keywords:

Anticholesterol, In silico, Apigenin, Apigetrin, 3-hydroxy-3-methyl-glutayl-coenzyme A reductase

Abstract

 

 Objective: The objectives of this research were to investigate in silico interaction between apigenin and apigetrin with 3-hydroxy-3-methyl-glutayl-coenzyme 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.

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Published

01-11-2017

How to Cite

Lestari, D., E. Y. Sukandar, and I. Fidrianny. “IN SILICO STUDY OF APIGENIN AND APIGETRIN AS INHIBITOR OF 3-HYDROXY-3-METHYL-GLUTAYL-COENZYME A REDUCTASE”. Asian Journal of Pharmaceutical and Clinical Research, vol. 10, no. 11, Nov. 2017, pp. 284-7, doi:10.22159/ajpcr.2017.v10i11.20493.

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