Mechanistic and thermodynamic characterization of antiviral inhibitors targeting nucleocapsid N-terminal domain of SARS-CoV-2.


Journal

Archives of biochemistry and biophysics
ISSN: 1096-0384
Titre abrégé: Arch Biochem Biophys
Pays: United States
ID NLM: 0372430

Informations de publication

Date de publication:
Dec 2023
Historique:
received: 11 10 2023
revised: 07 11 2023
accepted: 08 11 2023
medline: 27 11 2023
pubmed: 14 11 2023
entrez: 13 11 2023
Statut: ppublish

Résumé

The nucleocapsid (N) protein of SARS-CoV-2 plays a pivotal role in encapsulating the viral genome. Developing antiviral treatments for SARS-CoV-2 is imperative due to the diminishing immunity of the available vaccines. This study targets the RNA-binding site located in the N-terminal domain (NTD) of the N-protein to identify the potential antiviral molecules against SARS-CoV-2. A structure-based repurposing approach identified the twelve high-affinity molecules from FDA-approved drugs, natural products, and the LOPAC

Identifiants

pubmed: 37956938
pii: S0003-9861(23)00319-3
doi: 10.1016/j.abb.2023.109820
pii:
doi:

Substances chimiques

Antiviral Agents 0
RNA 63231-63-0

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

109820

Informations de copyright

Copyright © 2023 Elsevier Inc. All rights reserved.

Auteurs

Preeti Dhaka (P)

Department of Biosciences and Bioengineering, Indian Institute of Technology Roorkee, Roorkee, Uttarakhand, 247667, India.

Ankur Singh (A)

Department of Biosciences and Bioengineering, Indian Institute of Technology Roorkee, Roorkee, Uttarakhand, 247667, India.

Shweta Choudhary (S)

Department of Biosciences and Bioengineering, Indian Institute of Technology Roorkee, Roorkee, Uttarakhand, 247667, India.

Rama Krishna Peddinti (RK)

Department of Chemistry, Indian Institute of Technology Roorkee, Roorkee, Uttarakhand, 247667, India.

Pravindra Kumar (P)

Department of Biosciences and Bioengineering, Indian Institute of Technology Roorkee, Roorkee, Uttarakhand, 247667, India. Electronic address: pravindra.kumar@bt.iitr.ac.in.

Gaurav Kumar Sharma (GK)

Indian Veterinary Research Institute, Izatnagar, Bareilly, Uttar Pradesh, 243122, India. Electronic address: gaurvet@gmail.com.

Shailly Tomar (S)

Department of Biosciences and Bioengineering, Indian Institute of Technology Roorkee, Roorkee, Uttarakhand, 247667, India. Electronic address: shailly.tomar@bt.iitr.ac.in.

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Classifications MeSH