Repurposing of approved drugs and nutraceuticals to identify potential inhibitors of SARS-COV-2’s entry into human host cells: a structural analysis using induced-fit docking, MMGBSA and molecular dynamics simulation approach-Reference-Cited by-同舟云学术

Repurposing of approved drugs and nutraceuticals to identify potential inhibitors of SARS-COV-2’s entry into human host cells: a structural analysis using induced-fit docking, MMGBSA and molecular dynamics simulation approach

Published:2022-02-03 Issue:5 Volume:48 Page:367-386
ISSN:0892-7022
Container-title:Molecular Simulation
language:en
Short-container-title:Molecular Simulation

Author:

Ray Rajdeep¹^ORCID,Birangal Sumit Raosaheb¹,Fathima Fajeelath¹,Bhat G. Varadaraj¹,Rao Mahadev²^ORCID,Shenoy G. Gautham¹

Affiliation:

1. Department of Pharmaceutical Chemistry, Manipal College of Pharmaceutical Sciences, Manipal Academy of Higher Education, Manipal, India

2. Department of Pharmacy Practice, Manipal College of Pharmaceutical Sciences, Manipal Academy of Higher Education, Manipal, India

Publisher

Informa UK Limited

Subject

Condensed Matter Physics,General Materials Science,General Chemical Engineering,Modeling and Simulation,Information Systems,General Chemistry

Link

https://www.tandfonline.com/doi/pdf/10.1080/08927022.2021.2016741

Reference71 articles.

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2. Coronavirus disease (COVID-19). Situation Report – 198. World Health Organisation; 2020 Aug 5 [cited 2020 Dec 7]. Available from: https://www.who.int/docs/default-source/coronaviruse/situation-reports/20200805-covid-19-sitrep-198.pdf? sfvrsn = f 99d1754_2.

3. Drug repurposing approach to fight COVID-19

4. FDA approves remdesivir, first treatment for COVID‐19

5. Coronavirus (COVID-19) update: FDA revokes emergency use authorization for chloroquine and hydroxychloroquine [Internet]. U.S. Food & Drug Administration; 2020 Jun 15 [cited 2020 Dec 21]; Available from: https://www.fda.gov/news-events/press-announcements/coronavirus-covid-19-update-fda-revokes-emergency-use-authorization-chloroquine-and.

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