Proceedings of the 4th International Conference Current Breakthrough in Pharmacy (ICB-Pharma 2022)

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In silico Analysis for Discovery of Dengue Virus Inhibitor from Natural Compounds

Authors
Miah Roney1, 2, Md. Sanower Hossain3, 4, *, Mohd Fadhlizil Fasihi Mohd Aluwi1, 2, *
1Faculty of Industrial Sciences and Technology, Universiti Malaysia Pahang, Lebuhraya Tun Razak, 26300, Gambang, Kuantan, Pahang Darul Makmur, Malaysia
2Centre for Bio-Aromatic Research, Universiti Malaysia Pahang, Lebuhraya Tun Razak, 26300, Gambang, Kuantan, Pahang Darul Makmur, Malaysia
3Department of Biomedical Science, Kulliyyah of Allied Health Sciences, International Islamic University Malaysia, 25200, Kuantan, Malaysia
4Faculty of Science, Sristy College of Tangail, Tangail, 1900, Bangladesh
*Corresponding author. Email: mshossainbge@gmail.com
*Corresponding author. Email: fasihi@ump.edu.my
Corresponding Authors
Md. Sanower Hossain, Mohd Fadhlizil Fasihi Mohd Aluwi
Available Online 14 December 2022.
DOI
10.2991/978-94-6463-050-3_33How to use a DOI?
Keywords
Dengue Virus; Anti-DENV; Natural Compounds; In-silico
Abstract

Dengue fever is a growing global health problem, with millions of virus illnesses occurring each year. Unfortunately, there is no approved treatment available. DENV NS5 RdRp protease produced by the dengue virus (DENV) is being investigated as a promising therapeutic target for developing efficient dengue treatments. Dengue virus propagation is aided by RdRp protease. This work used in-silico ligand-based and structure-based techniques to generate a DENV-2 NS5 RdRp protease inhibitor. Firstly, a ligand-based Lipinski's rule of five and an ADMET prediction was utilized to screen 42 putative antiviral natural compounds. The tested compounds were docked into the active region of DENV-2 NS5 RdRp protease. A lead compound (3'-O-Methyldiplacol) is recommended as a promising inhibitor of NS5 RdRp protease based on docking scores. This work discovered a possible DENV-2 NS5 RdRp protease inhibitor applying in-silico screening that might be beneficial in treating Dengue. Studying the effectiveness of this compound through in vitro and in vivo experimentations must be warranted.

Copyright
© 2023 The Author(s)
Open Access
Open Access This chapter is licensed under the terms of the Creative Commons Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/), which permits any noncommercial use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license and indicate if changes were made.

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Volume Title
Proceedings of the 4th International Conference Current Breakthrough in Pharmacy (ICB-Pharma 2022)
Series
Atlantis Highlights in Chemistry and Pharmaceutical Sciences
Publication Date
14 December 2022
ISBN
978-94-6463-050-3
ISSN
2590-3195
DOI
10.2991/978-94-6463-050-3_33How to use a DOI?
Copyright
© 2023 The Author(s)
Open Access
Open Access This chapter is licensed under the terms of the Creative Commons Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/), which permits any noncommercial use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license and indicate if changes were made.

Cite this article

risenwbib
TY  - CONF
AU  - Miah Roney
AU  - Md. Sanower Hossain
AU  - Mohd Fadhlizil Fasihi Mohd Aluwi
PY  - 2022
DA  - 2022/12/14
TI  - In silico Analysis for Discovery of Dengue Virus Inhibitor from Natural Compounds
BT  - Proceedings of the 4th International Conference Current Breakthrough in Pharmacy (ICB-Pharma 2022)
PB  - Atlantis Press
SP  - 379
EP  - 388
SN  - 2590-3195
UR  - https://doi.org/10.2991/978-94-6463-050-3_33
DO  - 10.2991/978-94-6463-050-3_33
ID  - Roney2022
ER  -