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Discovery of COVID-19 protein inhibitors in phenolic acids of azadirachta indica (neem) using docking and pharmacokinetics

COVID-19, a viral infection caused by the coronavirus SARS-CoV-2, is one of the world's most challenging diseases to cure. The fact that COVID-19 does not currently have any pharmaceutical treatments means that a concentrated effort must be made to discover the muchneeded remedies for this illn...

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Main Authors: Roney, Miah, Huq, AKM Moyeenul, Mohd Fadhlizil Fasihi, Mohd Aluwi
Format: Article
Language:English
Published: Thammasat University 2024
Subjects:
HD Industries. Land use. Labor
Online Access:http://umpir.ump.edu.my/id/eprint/43153/1/Discovery%20of%20COVID-19%20protein%20inhibitors%20in%20phenolic%20acids%20of%20azadirachta%20indica%20%28neem%29%20using%20docking%20and%20pharmacokinetics.pdf
http://umpir.ump.edu.my/id/eprint/43153/
https://ph02.tci-thaijo.org/index.php/SciTechAsia/article/view/253142
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spelling my.ump.umpir.431532024-12-15T13:18:10Z http://umpir.ump.edu.my/id/eprint/43153/ Discovery of COVID-19 protein inhibitors in phenolic acids of azadirachta indica (neem) using docking and pharmacokinetics Roney, Miah Huq, AKM Moyeenul Mohd Fadhlizil Fasihi, Mohd Aluwi HD Industries. Land use. Labor COVID-19, a viral infection caused by the coronavirus SARS-CoV-2, is one of the world's most challenging diseases to cure. The fact that COVID-19 does not currently have any pharmaceutical treatments means that a concentrated effort must be made to discover the muchneeded remedies for this illness. The most attractive antiviral targets of SARS-CoV-2 are the spike protein and main protease (Mpro). In this work, sixteen phenolic acids of Azadirachta indica were docked into the active site of the spike protein and Mpro. The resulting compounds were then subjected to pharmacokinetic studies to establish the lead compounds. Based on the results, ferulic acid was found to be a promising candidate for further research into its potential as a SARS-CoV-2 inhibitor due to its positive anticipated pharmacokinetics and pharmacological properties. Thammasat University 2024 Article PeerReviewed pdf en cc_by_nc_4 http://umpir.ump.edu.my/id/eprint/43153/1/Discovery%20of%20COVID-19%20protein%20inhibitors%20in%20phenolic%20acids%20of%20azadirachta%20indica%20%28neem%29%20using%20docking%20and%20pharmacokinetics.pdf Roney, Miah and Huq, AKM Moyeenul and Mohd Fadhlizil Fasihi, Mohd Aluwi (2024) Discovery of COVID-19 protein inhibitors in phenolic acids of azadirachta indica (neem) using docking and pharmacokinetics. Science & Technology Asia (STA), 29 (3). pp. 290-303. ISSN 2586-9027. (Published) https://ph02.tci-thaijo.org/index.php/SciTechAsia/article/view/253142
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
spellingShingle HD Industries. Land use. Labor
Roney, Miah
Huq, AKM Moyeenul
Mohd Fadhlizil Fasihi, Mohd Aluwi
Discovery of COVID-19 protein inhibitors in phenolic acids of azadirachta indica (neem) using docking and pharmacokinetics
description COVID-19, a viral infection caused by the coronavirus SARS-CoV-2, is one of the world's most challenging diseases to cure. The fact that COVID-19 does not currently have any pharmaceutical treatments means that a concentrated effort must be made to discover the muchneeded remedies for this illness. The most attractive antiviral targets of SARS-CoV-2 are the spike protein and main protease (Mpro). In this work, sixteen phenolic acids of Azadirachta indica were docked into the active site of the spike protein and Mpro. The resulting compounds were then subjected to pharmacokinetic studies to establish the lead compounds. Based on the results, ferulic acid was found to be a promising candidate for further research into its potential as a SARS-CoV-2 inhibitor due to its positive anticipated pharmacokinetics and pharmacological properties.
format Article
author Roney, Miah
Huq, AKM Moyeenul
Mohd Fadhlizil Fasihi, Mohd Aluwi
author_facet Roney, Miah
Huq, AKM Moyeenul
Mohd Fadhlizil Fasihi, Mohd Aluwi
author_sort Roney, Miah
title Discovery of COVID-19 protein inhibitors in phenolic acids of azadirachta indica (neem) using docking and pharmacokinetics
title_short Discovery of COVID-19 protein inhibitors in phenolic acids of azadirachta indica (neem) using docking and pharmacokinetics
title_full Discovery of COVID-19 protein inhibitors in phenolic acids of azadirachta indica (neem) using docking and pharmacokinetics
title_fullStr Discovery of COVID-19 protein inhibitors in phenolic acids of azadirachta indica (neem) using docking and pharmacokinetics
title_full_unstemmed Discovery of COVID-19 protein inhibitors in phenolic acids of azadirachta indica (neem) using docking and pharmacokinetics
title_sort discovery of covid-19 protein inhibitors in phenolic acids of azadirachta indica (neem) using docking and pharmacokinetics
publisher Thammasat University
publishDate 2024
url http://umpir.ump.edu.my/id/eprint/43153/1/Discovery%20of%20COVID-19%20protein%20inhibitors%20in%20phenolic%20acids%20of%20azadirachta%20indica%20%28neem%29%20using%20docking%20and%20pharmacokinetics.pdf
http://umpir.ump.edu.my/id/eprint/43153/
https://ph02.tci-thaijo.org/index.php/SciTechAsia/article/view/253142
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score 13.235362

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