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

Hariyanti, Rizky Arcinthya Rachmania, Mutia Karinah, Hadi Sunaryo

Abstract

HMG-CoA Reductase, a key enzyme in the cholesterol biosynthesis, catalyzes the conversion of 3- hydroxy3-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 antihypercholesterolemia.

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Paper Citation


in Harvard Style

Hariyanti., Rachmania R., Karinah M. and Sunaryo H. (2018). In Silico Analysis of the Phytochemical Compounds in Carica papaya Seeds for Optimizing the Inhibitors of HMG-CoA Reductase.In Proceedings of the 1st Muhammadiyah International Conference on Health and Pharmaceutical Development - Volume 1: MICH-PhD, ISBN 978-989-758-349-0, pages 123-132. DOI: 10.5220/0008240501230132


in Bibtex Style

@conference{mich-phd18,
author={Hariyanti and Rizky Arcinthya Rachmania and Mutia Karinah and Hadi Sunaryo},
title={In Silico Analysis of the Phytochemical Compounds in Carica papaya Seeds for Optimizing the Inhibitors of HMG-CoA Reductase},
booktitle={Proceedings of the 1st Muhammadiyah International Conference on Health and Pharmaceutical Development - Volume 1: MICH-PhD,},
year={2018},
pages={123-132},
publisher={SciTePress},
organization={INSTICC},
doi={10.5220/0008240501230132},
isbn={978-989-758-349-0},
}


in EndNote Style

TY - CONF

JO - Proceedings of the 1st Muhammadiyah International Conference on Health and Pharmaceutical Development - Volume 1: MICH-PhD,
TI - In Silico Analysis of the Phytochemical Compounds in Carica papaya Seeds for Optimizing the Inhibitors of HMG-CoA Reductase
SN - 978-989-758-349-0
AU - Hariyanti.
AU - Rachmania R.
AU - Karinah M.
AU - Sunaryo H.
PY - 2018
SP - 123
EP - 132
DO - 10.5220/0008240501230132