Quinoline and Quinazoline Alkaloids against COVID-19: An In Silico Multitarget Approach
The recent outbreak of the highly contagious coronavirus disease 2019 (COVID-19) caused by the novel coronavirus SARS-CoV-2 has created a global health crisis with socioeconomic impacts. Although, recently, vaccines have been approved for the prevention of COVID-19, there is still an urgent need for...
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| Format: | Article |
| Language: | English |
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Wiley
2021-01-01
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| Series: | Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2021/3613268 |
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| author | Esraa M. O. A. Ismail Shaza W. Shantier Mona S. Mohammed Hassan H. Musa Wadah Osman Ramzi A. Mothana |
| author_facet | Esraa M. O. A. Ismail Shaza W. Shantier Mona S. Mohammed Hassan H. Musa Wadah Osman Ramzi A. Mothana |
| author_sort | Esraa M. O. A. Ismail |
| collection | DOAJ |
| description | The recent outbreak of the highly contagious coronavirus disease 2019 (COVID-19) caused by the novel coronavirus SARS-CoV-2 has created a global health crisis with socioeconomic impacts. Although, recently, vaccines have been approved for the prevention of COVID-19, there is still an urgent need for the discovery of more efficacious and safer drugs especially from natural sources. In this study, a number of quinoline and quinazoline alkaloids with antiviral and/or antimalarial activity were virtually screened against three potential targets for the development of drugs against COVID-19. Among seventy-one tested compounds, twenty-three were selected for molecular docking based on their pharmacokinetic and toxicity profiles. The results identified a number of potential inhibitors. Three of them, namely, norquinadoline A, deoxytryptoquivaline, and deoxynortryptoquivaline, showed strong binding to the three targets, SARS-CoV-2 main protease, spike glycoprotein, and human angiotensin-converting enzyme 2. These alkaloids therefore have promise for being further investigated as possible multitarget drugs against COVID-19. |
| format | Article |
| id | doaj-art-5aa029f385714f7699cf5967b6401aa3 |
| institution | Kabale University |
| issn | 2090-9063 2090-9071 |
| language | English |
| publishDate | 2021-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Journal of Chemistry |
| spelling | doaj-art-5aa029f385714f7699cf5967b6401aa32025-02-03T01:10:53ZengWileyJournal of Chemistry2090-90632090-90712021-01-01202110.1155/2021/36132683613268Quinoline and Quinazoline Alkaloids against COVID-19: An In Silico Multitarget ApproachEsraa M. O. A. Ismail0Shaza W. Shantier1Mona S. Mohammed2Hassan H. Musa3Wadah Osman4Ramzi A. Mothana5Department of Pharmaceutical Chemistry, Faculty of Pharmacy, University of Khartoum, Khartoum, P.O. Box 1996, SudanDepartment of Pharmaceutical Chemistry, Faculty of Pharmacy, University of Khartoum, Khartoum, P.O. Box 1996, SudanDepartment of Pharmacognosy, Faculty of Pharmacy, University of Khartoum, Khartoum, P.O. Box 1996, SudanFaculty of Medical Laboratory Sciences, University of Khartoum, Khartoum, SudanDepartment of Pharmacognosy, Faculty of Pharmacy, University of Khartoum, Khartoum, P.O. Box 1996, SudanDepartment of Pharmacognosy, College of Pharmacy, King Saud University, Riyadh, Saudi ArabiaThe recent outbreak of the highly contagious coronavirus disease 2019 (COVID-19) caused by the novel coronavirus SARS-CoV-2 has created a global health crisis with socioeconomic impacts. Although, recently, vaccines have been approved for the prevention of COVID-19, there is still an urgent need for the discovery of more efficacious and safer drugs especially from natural sources. In this study, a number of quinoline and quinazoline alkaloids with antiviral and/or antimalarial activity were virtually screened against three potential targets for the development of drugs against COVID-19. Among seventy-one tested compounds, twenty-three were selected for molecular docking based on their pharmacokinetic and toxicity profiles. The results identified a number of potential inhibitors. Three of them, namely, norquinadoline A, deoxytryptoquivaline, and deoxynortryptoquivaline, showed strong binding to the three targets, SARS-CoV-2 main protease, spike glycoprotein, and human angiotensin-converting enzyme 2. These alkaloids therefore have promise for being further investigated as possible multitarget drugs against COVID-19.http://dx.doi.org/10.1155/2021/3613268 |
| spellingShingle | Esraa M. O. A. Ismail Shaza W. Shantier Mona S. Mohammed Hassan H. Musa Wadah Osman Ramzi A. Mothana Quinoline and Quinazoline Alkaloids against COVID-19: An In Silico Multitarget Approach Journal of Chemistry |
| title | Quinoline and Quinazoline Alkaloids against COVID-19: An In Silico Multitarget Approach |
| title_full | Quinoline and Quinazoline Alkaloids against COVID-19: An In Silico Multitarget Approach |
| title_fullStr | Quinoline and Quinazoline Alkaloids against COVID-19: An In Silico Multitarget Approach |
| title_full_unstemmed | Quinoline and Quinazoline Alkaloids against COVID-19: An In Silico Multitarget Approach |
| title_short | Quinoline and Quinazoline Alkaloids against COVID-19: An In Silico Multitarget Approach |
| title_sort | quinoline and quinazoline alkaloids against covid 19 an in silico multitarget approach |
| url | http://dx.doi.org/10.1155/2021/3613268 |
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