Toward wide-spectrum antivirals against coronaviruses: Molecular characterization of SARS-CoV-2 NSP13 helicase inhibitors.
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ABSTRACT:
SUBMITTER: Perez-Lemus GR
PROVIDER: S-EPMC8741187 | biostudies-literature | 2022 Jan
REPOSITORIES: biostudies-literature
Publications
Toward wide-spectrum antivirals against coronaviruses: Molecular characterization of SARS-CoV-2 NSP13 helicase inhibitors.
Perez-Lemus Gustavo R GR Menéndez Cintia A CA Alvarado Walter W Byléhn Fabian F de Pablo Juan J JJ
Science advances 20220107 1
To date, effective therapeutic treatments that confer strong attenuation against coronaviruses (CoVs) remain elusive. Among potential drug targets, the helicase of CoVs is attractive due to its sequence conservation and indispensability. We rely on atomistic molecular dynamics simulations to explore the structural coordination and dynamics associated with the SARS-CoV-2 Nsp13 apo enzyme, as well as their complexes with natural ligands. A complex communication network is revealed among the five d ...[more]
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