Prediction of potential inhibitors of SARS-CoV-2 using 3D-QSAR, molecular docking modeling and ADMET properties

Prediction of potential inhibitors of SARS-CoV-2 using 3D-QSAR, molecular docking modeling and ADMET properties

Coronavirus (COVID-19), an enveloped RNA virus, primarily affects human beings. It has been deemed by the World Health Organization (WHO) as a pandemic. For this reason, COVID-19 has become one of the most lethal viruses which the modern world has ever witnessed although some established pharmaceuti...

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Bibliographic Details
Main Authors: Ayoub Khaldan, Soukaina Bouamrane, Fatima En-Nahli, Reda El-mernissi, Khalil El khatabi, Rachid Hmamouchi, Hamid Maghat, Mohammed Aziz Ajana, Abdelouahid Sbai, Mohammed Bouachrine, Tahar Lakhlifi
Format: Article
Language:English
Published: Elsevier 2021-03-01
Series:Heliyon
Subjects:
SARS-CoV-2
3D-QSAR
Carboxamides sulfonamide
Molecular docking
Drug discovery
In silico ADMET
Online Access:http://www.sciencedirect.com/science/article/pii/S2405844021007064

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http://www.sciencedirect.com/science/article/pii/S2405844021007064

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