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In-silico Studies of Usnic Acid against DENV-3 Methyltransferase

There is currently no antiviral medication for dengue, a highly fatal tropical infectious disease spread by the Aedes aegypti and Aedes albopictus mosquitoes. The most conserved of the four Dengue serotypes and an essential element in viral replication, Dengue NS5 MTase is a promising therapeutic ta...

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Main Authors: Roney, Miah, Dubey, Amit, Huq, A.K.M. Moyeenul, Mohd Fadhlizil Fasihi, Mohd Aluwi
Format: Article
Language:English
Published: Penerbit Universiti Malaysia Pahang 2023
Subjects:
HD Industries. Land use. Labor
Q Science (General)
Online Access:http://umpir.ump.edu.my/id/eprint/41787/1/In-silico%20Studies%20of%20Usnic%20Acid%20against%20DENV-3%20Methyltransferase.pdf
http://umpir.ump.edu.my/id/eprint/41787/
https://doi.org/10.15282/cst.v3i1.9338
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spelling my.ump.umpir.417872024-07-03T03:36:50Z http://umpir.ump.edu.my/id/eprint/41787/ In-silico Studies of Usnic Acid against DENV-3 Methyltransferase Roney, Miah Dubey, Amit Huq, A.K.M. Moyeenul Mohd Fadhlizil Fasihi, Mohd Aluwi HD Industries. Land use. Labor Q Science (General) There is currently no antiviral medication for dengue, a highly fatal tropical infectious disease spread by the Aedes aegypti and Aedes albopictus mosquitoes. The most conserved of the four Dengue serotypes and an essential element in viral replication, Dengue NS5 MTase is a promising therapeutic target. Applying in-silico techniques such as molecular docking, pharmacokinetics, and pharmacophore analysis, we intend to discover novel inhibitors against Dengue NS5 MTase from Usnic acid. In the end, the docking results indicated that usnic acid had satisfactory docking values of -9.3 kcal/mol. We were able to confirm that the usnic acid had higher potential scores in docking and bound amino acids than the reference compound during our in-silico evaluation. Molecular docking, pharmacokinetics, and pharmacophore evaluations revealed that usnic acid has high pharmacological potential. Additionally, we anticipate that the testing in vitro and in vivo of usnic acid would indicate potential medicinal benefits. Penerbit Universiti Malaysia Pahang 2023 Article PeerReviewed pdf en cc_by_nc_4 http://umpir.ump.edu.my/id/eprint/41787/1/In-silico%20Studies%20of%20Usnic%20Acid%20against%20DENV-3%20Methyltransferase.pdf Roney, Miah and Dubey, Amit and Huq, A.K.M. Moyeenul and Mohd Fadhlizil Fasihi, Mohd Aluwi (2023) In-silico Studies of Usnic Acid against DENV-3 Methyltransferase. Current Science and Technology (CST), 3 (1). pp. 9-15. ISSN 2785-8804. (Published) https://doi.org/10.15282/cst.v3i1.9338 10.15282/cst.v3i1.9338
institution Universiti Malaysia Pahang Al-Sultan Abdullah
building UMPSA Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaysia Pahang Al-Sultan Abdullah
content_source UMPSA Institutional Repository
url_provider http://umpir.ump.edu.my/
language English
topic HD Industries. Land use. Labor
Q Science (General)
spellingShingle HD Industries. Land use. Labor
Q Science (General)
Roney, Miah
Dubey, Amit
Huq, A.K.M. Moyeenul
Mohd Fadhlizil Fasihi, Mohd Aluwi
In-silico Studies of Usnic Acid against DENV-3 Methyltransferase
description There is currently no antiviral medication for dengue, a highly fatal tropical infectious disease spread by the Aedes aegypti and Aedes albopictus mosquitoes. The most conserved of the four Dengue serotypes and an essential element in viral replication, Dengue NS5 MTase is a promising therapeutic target. Applying in-silico techniques such as molecular docking, pharmacokinetics, and pharmacophore analysis, we intend to discover novel inhibitors against Dengue NS5 MTase from Usnic acid. In the end, the docking results indicated that usnic acid had satisfactory docking values of -9.3 kcal/mol. We were able to confirm that the usnic acid had higher potential scores in docking and bound amino acids than the reference compound during our in-silico evaluation. Molecular docking, pharmacokinetics, and pharmacophore evaluations revealed that usnic acid has high pharmacological potential. Additionally, we anticipate that the testing in vitro and in vivo of usnic acid would indicate potential medicinal benefits.
format Article
author Roney, Miah
Dubey, Amit
Huq, A.K.M. Moyeenul
Mohd Fadhlizil Fasihi, Mohd Aluwi
author_facet Roney, Miah
Dubey, Amit
Huq, A.K.M. Moyeenul
Mohd Fadhlizil Fasihi, Mohd Aluwi
author_sort Roney, Miah
title In-silico Studies of Usnic Acid against DENV-3 Methyltransferase
title_short In-silico Studies of Usnic Acid against DENV-3 Methyltransferase
title_full In-silico Studies of Usnic Acid against DENV-3 Methyltransferase
title_fullStr In-silico Studies of Usnic Acid against DENV-3 Methyltransferase
title_full_unstemmed In-silico Studies of Usnic Acid against DENV-3 Methyltransferase
title_sort in-silico studies of usnic acid against denv-3 methyltransferase
publisher Penerbit Universiti Malaysia Pahang
publishDate 2023
url http://umpir.ump.edu.my/id/eprint/41787/1/In-silico%20Studies%20of%20Usnic%20Acid%20against%20DENV-3%20Methyltransferase.pdf
http://umpir.ump.edu.my/id/eprint/41787/
https://doi.org/10.15282/cst.v3i1.9338
_version_ 1822924449825947648
score 13.235362

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