Drug repurposing against main protease and RNA-dependent RNA polymerase of SARS-CoV-2 using molecular docking, MM-GBSA calculations and molecular dynamics-Reference-Cited by-同舟云学术

Drug repurposing against main protease and RNA-dependent RNA polymerase of SARS-CoV-2 using molecular docking, MM-GBSA calculations and molecular dynamics

Published:2022-06-27 Issue:5 Volume:33 Page:1553-1567
ISSN:1040-0400
Container-title:Structural Chemistry
language:en
Short-container-title:Struct Chem

Author:

Mohammed Ahmed O.,Abo-Idrees Mazin I.,Makki Alaa A.,Ibraheem Walaa,Alzain Abdulrahim A.^ORCID

Publisher

Springer Science and Business Media LLC

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics

Link

https://link.springer.com/content/pdf/10.1007/s11224-022-01999-9.pdf

Reference59 articles.

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2. Hillen HS (2021) Structure and function of SARS-CoV-2 polymerase. Curr Opin Virol 48:82–90. https://doi.org/10.1016/j.coviro.2021.03.010

3. WHO Coronavirus (COVID-19) Dashboard | WHO coronavirus (COVID-19) dashboard with vaccination data, (n.d.). https://covid19.who.int/. Accessed 7 Jun 2022

4. Yadav R, Chaudhary JK, Jain N, Chaudhary PK (2021) Role of structural and non-structural proteins and therapeutic 10:1–16

5. Patel D, Athar M, Jha PC (2022) Computational investigation of binding of chloroquinone and hydroxychloroquinone against PLPro of SARS-CoV-2. J Biomol Struct Dyn 40:3071–3081. https://doi.org/10.1080/07391102.2020.1844804

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