Pendekatan Insilico Kandidat Obat Dislipidemia dari Daun Binahong Sebagai Inhibitor Hmg-Coa

Refga Utama, Ade Kiki Riezky, M. Hendro Mustaqim

Abstract


Dyslipidemia is a metabolic syndrome that is often found in society. Disipidemia therapy is carried out by using statin class compounds to inhibit the HMG-CoA reductase enzyme. Ursolic acid is reported to be present in the leaves of binahong (anredera cordifolia) which is widely used as an herbal plant. This study aims to determine the effectiveness of ursolic acid as an inhibitor of the in-silico HMG-CoA reductase enzyme. Molecular docking was performed using AutoDock vina 4.0 software. Ursolic acid was downloaded from the pubchem.ncbi page. The results showed that the free energy of gibbs was -7.2 kcal / mol and an RMSD value of 0.998 Å. This shows that the interaction formed between the receptor and ursolic acid is stable and the reaction can take place spontaneously. The interaction between the receptor and ursolic acid occurs at the amino acid residues Lys A: 691, Arg A: 590, Asp A: 690, Ser A: 684, Lys B: 735, Ser A: 661, Val A: 683, Ala B : 751, Leu B: 853, Leu and His B: 752 which are the active side of the HMG-CoA reductase enzyme. According to Lipinski's rules, it shows that ursolic acid can’t be used orally as an antihypercholesterolemic therapy.

Keywords: Ursolic acid, HMG-CoA reductase, Dyslipidemia


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