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Cited by 52SARS-CoV-2 and COVID-19 ResearchComputational Drug Discovery MethodsProtein Structure and Dynamics

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1′-Ribose cyano substitution allows Remdesivir to effectively inhibit nucleotide addition and proofreading during SARS-CoV-2 viral RNA replication

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Zhang, Lu, Zhang, Dong, Wang, Xiaowei, Yuan, Congmin, Li, Yongfang, Jia, Xilin, Gao, Xin, Yen, Hui-Ling, Cheung, Peter Pak-Hang, Huang, Xuhui·2021·Physical Chemistry Chemical Physics
DOI 10.1039/d0cp05948j

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Abstract

1′-Ribose cyano substitution is essential for Remdesivir to inhibit the nucleotide addition and proofreading in SARS-CoV-2.

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Metadata

Authors
Zhang, L., Zhang, D., Wang, X., Yuan, C., Li, Y., Jia, X., Gao, X., Yen, H.-L., Cheung, P. P.-H., & Huang, X.
Affiliations
  • Chinese Academy of Sciences (CN)
  • Hong Kong University of Science and Technology (HK)
  • King Abdullah University of Science and Technology (SA)
  • University of Hong Kong (HK)
Corresponding author
  • Zhang, Lu
  • Cheung, Peter Pak-Hang
  • Huang, Xuhui
ORCID
Venue
Physical Chemistry Chemical Physics
Publisher
Royal Society of Chemistry (RSC)
Published
2021
Volume
23
Issue
10
Pages
5852-5863
ISSN
  • 1463-9076 (ISSN-L)
  • 1463-9084
DOI
10.1039/d0cp05948j
OpenAlex
W3130661276
Cited by
52
References
2
Citations by year
2026: 1 · 2025: 6 · 2024: 5 · 2023: 7 · 2022: 16 · 2021: 15
FWCI
3.40
Type
journal article
Language
en
Open access
Licence
rsc.li/journals-terms-of-use (am, 414 d)
Locations
  • Physical Chemistry Chemical Physics (publishedVersion)
  • bioRxiv (Cold Spring Harbor Laboratory) (acceptedVersion)
  • PubMed (publishedVersion)
  • Rare & Special e-Zone (The Hong Kong University of Science and Technology) (submittedVersion)
  • King Abdullah University of Science and Technology Repository (King Abdullah University of Science and Technology) (submittedVersion)
Funders
  • National Natural Science Foundation of China (21733007, 21803071)
  • Shenzhen Science and Technology Innovation Commission (JCYJ20170413173837121)
  • Research Grants Council, University Grants Committee (16307718, 16318816, AoE/P-705/16, T13-605/18-W, 16301319)
  • Innovation and Technology Commission (ITCPD/17-9)
  • King Abdullah University of Science and Technology (FCC/1/1976-18, FCC/1/1976-23, FCC/1/1976-26, URF/1/4098-01-01, REI/1/0018-01-01, REI/1/4473-01-01)
Topics
  • Health Sciences › Medicine › Infectious Diseases › SARS-CoV-2 and COVID-19 Research
  • Life Sciences › Pharmacology, Toxicology and Pharmaceutics › Drug Discovery › Computational Drug Discovery Methods
  • Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Protein Structure and Dynamics
Keywords
remdesivir, SARS-CoV-2, RNA-dependent RNA polymerase, exonuclease proofreading, salt bridges, electrostatic interactions, steric interactions, viral RNA replication inhibition, COVID-19 antiviral therapy, molecular dynamics simulation
MeSH terms
COVID-19, SARS-CoV-2, COVID-19 Drug Treatment, Adenosine Monophosphate, Alanine, Cyanides, Humans, Nucleotides, Ribose, RNA-Dependent RNA Polymerase, Virus Replication, Catalytic Domain, Static Electricity, Molecular Dynamics Simulation

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