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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| Format: | Article |
| Language: | English |
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Penerbit Universiti Malaysia Pahang
2023
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| Online Access: | http://umpir.ump.edu.my/id/eprint/41787/1/In-silico%20Studies%20of%20Usnic%20Acid%20against%20DENV-3%20Methyltransferase.pdf |
| _version_ | 1825815755703189504 |
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| 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 |
| collection | UMP |
| 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. |
| first_indexed | 2024-09-25T03:51:02Z |
| format | Article |
| id | UMPir41787 |
| institution | Universiti Malaysia Pahang |
| language | English |
| last_indexed | 2024-09-25T03:51:02Z |
| publishDate | 2023 |
| publisher | Penerbit Universiti Malaysia Pahang |
| record_format | dspace |
| spelling | UMPir417872024-07-03T03:36:50Z 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 |
| 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 |
| title | 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_short | In-silico Studies of Usnic Acid against DENV-3 Methyltransferase |
| title_sort | in silico studies of usnic acid against denv 3 methyltransferase |
| topic | HD Industries. Land use. Labor Q Science (General) |
| url | http://umpir.ump.edu.my/id/eprint/41787/1/In-silico%20Studies%20of%20Usnic%20Acid%20against%20DENV-3%20Methyltransferase.pdf |
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