Virtual screening, molecular docking studies and DFT calculations of FDA approved compounds similar to the non-nucleoside reverse transcriptase inhibitor (NNRTI) efavirenz

Virtual screening, molecular docking studies and DFT calculations of FDA approved compounds similar to the non-nucleoside reverse transcriptase inhibitor (NNRTI) efavirenz

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) was confirmed as the causative virus of COVID-19 disease, which is currently a worldwide pandemic. Efavirenz, a non-nucleoside reverse transcriptase inhibitor (NNRTI), is one of the most potent chemical compounds proposed to treat COVID-19...

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Bibliographic Details
Main Authors: Maryam A. Jordaan, Oluwakemi Ebenezer, Nkululeko Damoyi, Michael Shapi
Format: Article
Language:English
Published: Elsevier 2020-08-01
Series:Heliyon
Subjects:
Pharmaceutical chemistry
Theoretical chemistry
COVID-19
NNRTI
Virtual screening
Efavirenz
Online Access:http://www.sciencedirect.com/science/article/pii/S2405844020314869

Internet

http://www.sciencedirect.com/science/article/pii/S2405844020314869

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