Revealing Potency of Bioactive Compounds as Inhibitor of Dengue Virus (DENV) NS2B/NS3 Protease from Sweet Potato (Ipomoea batatas L.) Leaves

Kharisma, Viol Dhea and Probojati, Rasyadan Taufiq and Murtadlo, Ahmad Affan Ali and Ansori, Arif Nur Muhammad and Antonius, Yulanda and Tamam, Muhammad Badrut (2021) Revealing Potency of Bioactive Compounds as Inhibitor of Dengue Virus (DENV) NS2B/NS3 Protease from Sweet Potato (Ipomoea batatas L.) Leaves. Indian Journal of Forensic Medicine & Toxicology, 15 (1). pp. 1627-1632. ISSN 0973-9130

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Official URL / DOI: https://doi.org/10.37506/ijfmt.v15i1.13644

Abstract

This study aims to identify the potency of bioactive compounds of sweet potato leaf as inhibitory agent to dengue virus (DENV) NS2B/NS3 protease by using computational study. The 3D structure of NS2B/ NS3 protease was collected from PDB and the 2D structure of several bioactive compounds of sweet potato leaf were obtained from PubChem. The visualization and data analysis were performed by using the PyMol software. According to the in silico analysis, result demonstrated that dehydroabietinol had the lowest free energy binding. However, based on the protein-ligand analysis, all the compounds showed the hydrogen bond and hydrophobic interaction. All the compounds with hydrogen bond could not be interacted with catalytic domain, but hydrophobic interaction could be interacted to the target domain via Ser135 by δ-Selinene and His51 by α-Caryophyllene. In summary, we conclude that δ-Selinene and α-Caryophyllene might have potencies as a therapeutically drug for dengue

Item Type: Article
Uncontrolled Keywords: Dengue virus, in silico, Ipomoea batatas, protease
Subjects: Q Science > Q Science (General)
R Medicine > R Medicine (General)
Divisions: Faculty of Technobiology > Department of Biology
Depositing User: YULANDA ANTONIUS
Date Deposited: 10 Mar 2021 08:44
Last Modified: 24 Mar 2021 16:34
URI: http://repository.ubaya.ac.id/id/eprint/39014

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