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Molecular docking and drug-likeness study of nirmatrelvir as promising drug candidates of dengue virus NS2B-NS3 protease

Aedes aegypti is the primary vector for the transmission of the dengue virus (DENV), which causes dengue fever (DF), dengue hemorrhagic fever (DHF), and dengue shock syndrome (DSS). There is now no antiviral medication available to treat DENV, which kills thousands of people year and infects million...

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Main Authors: Huq, A.K.M. Moyeenul, Roney, Miah, Saiful Nizam, Tajuddin, Mohd Fadhlizil Fasihi, Mohd Aluwi
Format: Article
Language:English
English
Published: Marmara University 2023
Subjects:
HD Industries. Land use. Labor
Q Science (General)
T Technology (General)
Online Access:http://umpir.ump.edu.my/id/eprint/40505/1/Molecular%20docking%20and%20drug-likeness%20study%20of%20nirmatrelvir.pdf
http://umpir.ump.edu.my/id/eprint/40505/2/Molecular%20docking%20and%20drug-likeness%20study%20of%20nirmatrelvir%20as%20promising%20drug%20candidates%20of%20dengue%20virus%20NS2B-NS3%20protease_ABS.pdf
http://umpir.ump.edu.my/id/eprint/40505/
https://doi.org/10.29228/jrp.460
https://doi.org/10.29228/jrp.460
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spelling my.ump.umpir.405052024-04-30T06:25:42Z http://umpir.ump.edu.my/id/eprint/40505/ Molecular docking and drug-likeness study of nirmatrelvir as promising drug candidates of dengue virus NS2B-NS3 protease Huq, A.K.M. Moyeenul Roney, Miah Saiful Nizam, Tajuddin Mohd Fadhlizil Fasihi, Mohd Aluwi HD Industries. Land use. Labor Q Science (General) T Technology (General) Aedes aegypti is the primary vector for the transmission of the dengue virus (DENV), which causes dengue fever (DF), dengue hemorrhagic fever (DHF), and dengue shock syndrome (DSS). There is now no antiviral medication available to treat DENV, which kills thousands of people year and infects millions of individuals. Due to the current situation, effective and useful treatments for this virus urgently need to be developed. Therefore, the goal of the current work was to determine, using molecular docking and drug-likeness analysis, the anti-viral potential of Nirmatrelvir inhibitor against DENV (1-4) NS2B-NS3 protease. Nirmatrelvir shown robust and stable bonding in the binding pocket of DENV (1-4) NS2B-NS3 protease, as demonstrated by molecular docking. According to the drug-likeness study, Nirmatrelvir shown druggability and may function as possible inhibitor to halt DENV proliferation. To establish their action and other qualities, it is also necessary to research how substances behave in both in-vitro and in-vivo settings. Marmara University 2023 Article PeerReviewed pdf en http://umpir.ump.edu.my/id/eprint/40505/1/Molecular%20docking%20and%20drug-likeness%20study%20of%20nirmatrelvir.pdf pdf en http://umpir.ump.edu.my/id/eprint/40505/2/Molecular%20docking%20and%20drug-likeness%20study%20of%20nirmatrelvir%20as%20promising%20drug%20candidates%20of%20dengue%20virus%20NS2B-NS3%20protease_ABS.pdf Huq, A.K.M. Moyeenul and Roney, Miah and Saiful Nizam, Tajuddin and Mohd Fadhlizil Fasihi, Mohd Aluwi (2023) Molecular docking and drug-likeness study of nirmatrelvir as promising drug candidates of dengue virus NS2B-NS3 protease. Journal of Research in Pharmacy, 27 (5). pp. 1760-1767. ISSN 2630-6344. (Published) https://doi.org/10.29228/jrp.460 https://doi.org/10.29228/jrp.460
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
English
topic HD Industries. Land use. Labor
Q Science (General)
T Technology (General)
spellingShingle HD Industries. Land use. Labor
Q Science (General)
T Technology (General)
Huq, A.K.M. Moyeenul
Roney, Miah
Saiful Nizam, Tajuddin
Mohd Fadhlizil Fasihi, Mohd Aluwi
Molecular docking and drug-likeness study of nirmatrelvir as promising drug candidates of dengue virus NS2B-NS3 protease
description Aedes aegypti is the primary vector for the transmission of the dengue virus (DENV), which causes dengue fever (DF), dengue hemorrhagic fever (DHF), and dengue shock syndrome (DSS). There is now no antiviral medication available to treat DENV, which kills thousands of people year and infects millions of individuals. Due to the current situation, effective and useful treatments for this virus urgently need to be developed. Therefore, the goal of the current work was to determine, using molecular docking and drug-likeness analysis, the anti-viral potential of Nirmatrelvir inhibitor against DENV (1-4) NS2B-NS3 protease. Nirmatrelvir shown robust and stable bonding in the binding pocket of DENV (1-4) NS2B-NS3 protease, as demonstrated by molecular docking. According to the drug-likeness study, Nirmatrelvir shown druggability and may function as possible inhibitor to halt DENV proliferation. To establish their action and other qualities, it is also necessary to research how substances behave in both in-vitro and in-vivo settings.
format Article
author Huq, A.K.M. Moyeenul
Roney, Miah
Saiful Nizam, Tajuddin
Mohd Fadhlizil Fasihi, Mohd Aluwi
author_facet Huq, A.K.M. Moyeenul
Roney, Miah
Saiful Nizam, Tajuddin
Mohd Fadhlizil Fasihi, Mohd Aluwi
author_sort Huq, A.K.M. Moyeenul
title Molecular docking and drug-likeness study of nirmatrelvir as promising drug candidates of dengue virus NS2B-NS3 protease
title_short Molecular docking and drug-likeness study of nirmatrelvir as promising drug candidates of dengue virus NS2B-NS3 protease
title_full Molecular docking and drug-likeness study of nirmatrelvir as promising drug candidates of dengue virus NS2B-NS3 protease
title_fullStr Molecular docking and drug-likeness study of nirmatrelvir as promising drug candidates of dengue virus NS2B-NS3 protease
title_full_unstemmed Molecular docking and drug-likeness study of nirmatrelvir as promising drug candidates of dengue virus NS2B-NS3 protease
title_sort molecular docking and drug-likeness study of nirmatrelvir as promising drug candidates of dengue virus ns2b-ns3 protease
publisher Marmara University
publishDate 2023
url http://umpir.ump.edu.my/id/eprint/40505/1/Molecular%20docking%20and%20drug-likeness%20study%20of%20nirmatrelvir.pdf
http://umpir.ump.edu.my/id/eprint/40505/2/Molecular%20docking%20and%20drug-likeness%20study%20of%20nirmatrelvir%20as%20promising%20drug%20candidates%20of%20dengue%20virus%20NS2B-NS3%20protease_ABS.pdf
http://umpir.ump.edu.my/id/eprint/40505/
https://doi.org/10.29228/jrp.460
https://doi.org/10.29228/jrp.460
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score 13.235362

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