Identification of a New Potential SARS-COV-2 RNA-Dependent RNA Polymerase Inhibitor via Combining Fragment-Based Drug Design, Docking, Molecular Dynamics, and MM-PBSA Calculations-Reference-Cited by-同舟云学术

Identification of a New Potential SARS-COV-2 RNA-Dependent RNA Polymerase Inhibitor via Combining Fragment-Based Drug Design, Docking, Molecular Dynamics, and MM-PBSA Calculations

Published:2020-10-30 Issue: Volume:8 Page:
ISSN:2296-2646
Container-title:Frontiers in Chemistry
language:
Short-container-title:Front. Chem.

Author:

El Hassab Mahmoud A.,Shoun Aly A.,Al-Rashood Sara T.,Al-Warhi Tarfah,Eldehna Wagdy M.

Funder

Deanship of Scientific Research, King Saud University

Publisher

Frontiers Media SA

Subject

General Chemistry

Reference55 articles.

1. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers;Abraham;SoftwareX,2015

2. Pharmacoinformatics and molecular dynamics simulation studies reveal potential covalent and FDA-approved inhibitors of SARS-CoV-2 main protease 3CLpro;Alamri;J. Biomol. Struct. Dyn,2020

3. Virology: coronaviruses;Almeida;Nature,1968

4. Pathogen genomics in public health;Armstrong;N. Engl. J. Med,2019

5. New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays;Baell;J. Med. Chem,2010

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