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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| Format: | Article |
| Language: | English |
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Thammasat University
2024
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| 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 |
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| 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 |
| collection | UMP |
| 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. |
| first_indexed | 2025-02-19T02:38:23Z |
| format | Article |
| id | UMPir43153 |
| institution | Universiti Malaysia Pahang |
| language | English |
| last_indexed | 2025-02-19T02:38:23Z |
| publishDate | 2024 |
| publisher | Thammasat University |
| record_format | dspace |
| spelling | UMPir431532024-12-15T13:18:10Z 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 |
| 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 |
| title | 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_short | 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 |
| topic | HD Industries. Land use. Labor |
| 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 |
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