In Silico Analysis of the Phytochemical Compounds in Carica papaya Seeds for Optimizing the Inhibitors of HMG-CoA Reductase

Hariyanti, HariyantidanRizky Arcinthya Rachmania, RizkydanMutia Karinah, MutiadanHadi Sunaryo, Hadi In Silico Analysis of the Phytochemical Compounds in Carica papaya Seeds for Optimizing the Inhibitors of HMG-CoA Reductase. In Silico Analysis of the Phytochemical Compounds in Carica papaya Seeds for Optimizing the Inhibitors of HMG-CoA Reductase.

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Abstract

HMG-CoA Reductase, a key enzyme in the cholesterol biosynthesis, catalyzes the conversion of 3- hydroxy-3-methyl-glutaryl coenzyme A (HMG-CoA) into mevalonate. Therefore, this enzyme is the target of the cholesterol-lowering drugs known as statins. Carica papaya seed extract contains phytochemical compounds that are thought to have a cholesterol-lowering effect. The present study was designed to examine the ability of the secondary metabolites of Carica papaya seeds as an antagonist to HMG-CoA reductase using in silico molecular docking. The docking analysis was carried out in PLANTS 1.2 software in which the lowest ChemPLP score, i.e., free energy, was the molecular docking parameter. Seven ligands were docked with HMG-CoA reductase receptor, three of which were benzyl glucosinolate, oleic acid, and glucotropaeolin that had the best ChemPLP scores, namely -90.5491 kcal/mol, -81.7665kcal/mol, and - 85.1919 kcal/mol, respectively. Benzyl glucosinolate formed hydrogen bonds with the active site of the targeted protein. As a conclusion, this compound can inhibit the enzyme HMG-CoA reductase, and it has the potential for anti-hypercholesterolemia.

Item Type: Article
Subjects: Fakultas Agama Islam > R Medicine (General)
Fakultas Agama Islam > RS Pharmacy and materia medica
Divisions: Fakultas Keguruan & Ilmu Pendidikan > School of Medicine
Depositing User: Furqon furqon furqon
Date Deposited: 19 Dec 2019 05:48
Last Modified: 19 Dec 2019 05:48
URI: http://repository.uhamka.ac.id/id/eprint/773

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