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Open Access

Peer-reviewed

Research Article

Mapping major SARS-CoV-2 drug targets and assessment of druggability using computational fragment screening: Identification of an allosteric small-molecule binding site on the Nsp13 helicase

Matthew R. Freidel,

Roles Conceptualization, Data curation, Formal analysis, Investigation, Validation, Visualization, Writing – original draft, Writing – review & editing

Affiliation Department of Pharmaceutical Sciences, College of Pharmacy, Thomas Jefferson University, Philadelphia, Pennsylvania, United States of America
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Roger S. Armen

Roles Data curation, Formal analysis, Funding acquisition, Investigation, Methodology, Project administration, Resources, Software, Supervision, Validation, Visualization, Writing – original draft, Writing – review & editing

* E-mail: Roger.Armen@Jefferson.edu

Affiliation Department of Pharmaceutical Sciences, College of Pharmacy, Thomas Jefferson University, Philadelphia, Pennsylvania, United States of America

https://orcid.org/0000-0003-3830-1450

⨯

Mapping major SARS-CoV-2 drug targets and assessment of druggability using computational fragment screening: Identification of an allosteric small-molecule binding site on the Nsp13 helicase

Matthew R. Freidel,
Roger S. Armen

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Published: February 17, 2021
https://doi.org/10.1371/journal.pone.0246181

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Library screening
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Crystal structure
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SARS CoV 2
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Protein structure
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Binding analysis
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Protein-protein interactions
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