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

Authors

  • Viol Dhea Kharisma1,2, Rasyadan Taufiq Probojati1 , Ahmad Affan Ali Murtadlo1 , Arif Nur Muhammad Ansori3 , Yulanda Antonius4 , Muhammad Badrut Tamam1,5

DOI:

https://doi.org/10.37506/ijfmt.v15i1.13644

Keywords:

Dengue virus, in silico, Ipomoea batatas, protease

Abstract

his 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
?-Selinene and His51 by ?-Caryophyllene. In summary, we conclude that ?-Selinene and ?-Caryophyllene
might have potencies as a therapeutically drug for dengue.

Author Biography

  • Viol Dhea Kharisma1,2, Rasyadan Taufiq Probojati1 , Ahmad Affan Ali Murtadlo1 , Arif Nur Muhammad Ansori3 , Yulanda Antonius4 , Muhammad Badrut Tamam1,5

    1Researcher, Division of Molecular Biology and Genetics, Generasi Biologi Indonesia Foundation, Gresik,
    Indonesia, 2
    Master Student, Master Program in Biology, Department of Biology, Faculty of Mathematics and
    Natural Sciences, Brawijaya University, Malang, Indonesia, 3Doctoral Student, Doctoral Program in Veterinary
    Science, Faculty of Veterinary Medicine, Universitas Airlangga, Surabaya, Indonesia, 4
    Lecturer, Department of
    Biology, Faculty of Biotechnology, University of Surabaya, Surabaya, Indonesia, 5Lecturer, Department of Biology,
    Faculty of Sciences and Technology, Universitas Muhammadiyah Lamongan, Lamongan, Indonesia

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Published

2020-12-31

Issue

Vol. 15 No. 1 (2021): Indian Journal of Forensic Medicine & Toxicology

Section

Articles

License

https://creativecommons.org/licenses/by-nc/2.0/deed.en

How to Cite

Revealing Potency of Bioactive Compounds as Inhibitor of Dengue Virus (DENV) NS2B/NS3 Protease from Sweet Potato (Ipomoea batatas L.) Leaves. (2020). Indian Journal of Forensic Medicine & Toxicology, 15(1), 1627-1632. https://doi.org/10.37506/ijfmt.v15i1.13644