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Computer-Aided Analysis of Multiple SARS-CoV-2 Therapeutic Targets: Identification of Potent Molecules from African Medicinal Plants
Joint Authors
Iheagwam, Franklyn Nonso
Rotimi, Solomon Oladapo
Source
Issue
Vol. 2020, Issue 2020 (31 Dec. 2020), pp.1-25, 25 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2020-09-14
Country of Publication
Egypt
No. of Pages
25
Main Subjects
Abstract EN
The COVID-19 pandemic, which started in Wuhan, China, has spread rapidly over the world with no known antiviral therapy or vaccine.
Interestingly, traditional Chinese medicine helped in flattening the pandemic curve in China.
In this study, molecules from African medicinal plants were analysed as potential candidates against multiple SARS-CoV-2 therapeutic targets.
Sixty-five molecules from the ZINC database subset (AfroDb Natural Products) were virtually screened with some reported repurposed therapeutics against six SARS-CoV-2 and two human targets.
Molecular docking, druglikeness, absorption, distribution, metabolism, excretion, and toxicity (ADMET) of the best hits were further simulated.
Of the 65 compounds, only three, namely, 3-galloylcatechin, proanthocyanidin B1, and luteolin 7-galactoside found in almond (Terminalia catappa), grape (Vitis vinifera), and common verbena (Verbena officinalis), were able to bind to all eight targets better than the reported repurposed drugs.
The findings suggest these molecules may play a role as therapeutic leads in tackling this pandemic due to their multitarget activity.
American Psychological Association (APA)
Iheagwam, Franklyn Nonso& Rotimi, Solomon Oladapo. 2020. Computer-Aided Analysis of Multiple SARS-CoV-2 Therapeutic Targets: Identification of Potent Molecules from African Medicinal Plants. Scientifica،Vol. 2020, no. 2020, pp.1-25.
https://search.emarefa.net/detail/BIM-1208127
Modern Language Association (MLA)
Iheagwam, Franklyn Nonso& Rotimi, Solomon Oladapo. Computer-Aided Analysis of Multiple SARS-CoV-2 Therapeutic Targets: Identification of Potent Molecules from African Medicinal Plants. Scientifica No. 2020 (2020), pp.1-25.
https://search.emarefa.net/detail/BIM-1208127
American Medical Association (AMA)
Iheagwam, Franklyn Nonso& Rotimi, Solomon Oladapo. Computer-Aided Analysis of Multiple SARS-CoV-2 Therapeutic Targets: Identification of Potent Molecules from African Medicinal Plants. Scientifica. 2020. Vol. 2020, no. 2020, pp.1-25.
https://search.emarefa.net/detail/BIM-1208127
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1208127