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Comparative assessment of favipiravir and remdesivir against human coronavirus NL63 in molecular docking and cell culture models.
Wang, Yining; Li, Pengfei; Rajpoot, Sajjan; Saqib, Uzma; Yu, Peifa; Li, Yunlong; Li, Yang; Ma, Zhongren; Baig, Mirza S; Pan, Qiuwei.
Affiliation
  • Wang Y; Department of Gastroenterology and Hepatology, Erasmus MC-University Medical Center, Room Na-1005, Wytemaweg 80, 3015 CN, Rotterdam, The Netherlands.
  • Li P; Department of Gastroenterology and Hepatology, Erasmus MC-University Medical Center, Room Na-1005, Wytemaweg 80, 3015 CN, Rotterdam, The Netherlands.
  • Rajpoot S; Department of Biosciences and Biomedical Engineering (BSBE), Indian Institute of Technology Indore (IITI), Simrol, Indore, 453552, MP, India.
  • Saqib U; Department of Chemistry, Indian Institute of Technology Indore (IITI), Simrol, Indore, 453552, MP, India.
  • Yu P; Department of Gastroenterology and Hepatology, Erasmus MC-University Medical Center, Room Na-1005, Wytemaweg 80, 3015 CN, Rotterdam, The Netherlands.
  • Li Y; Department of Gastroenterology and Hepatology, Erasmus MC-University Medical Center, Room Na-1005, Wytemaweg 80, 3015 CN, Rotterdam, The Netherlands.
  • Li Y; Department of Gastroenterology and Hepatology, Erasmus MC-University Medical Center, Room Na-1005, Wytemaweg 80, 3015 CN, Rotterdam, The Netherlands.
  • Ma Z; Biomedical Research Center, Northwest Minzu University, Lanzhou, China.
  • Baig MS; Department of Biosciences and Biomedical Engineering (BSBE), Indian Institute of Technology Indore (IITI), Simrol, Indore, 453552, MP, India. msb.iit@iiti.ac.in.
  • Pan Q; Department of Gastroenterology and Hepatology, Erasmus MC-University Medical Center, Room Na-1005, Wytemaweg 80, 3015 CN, Rotterdam, The Netherlands. q.pan@erasmusmc.nl.
Sci Rep ; 11(1): 23465, 2021 12 06.
Article in En | MEDLINE | ID: mdl-34873274
Human coronavirus NL63 (HCoV-NL63) mainly affects young children and immunocompromised patients, causing morbidity and mortality in a subset of patients. Since no specific treatment is available, this study aims to explore the anti-SARS-CoV-2 agents including favipiravir and remdesivir for treating HCoV-NL63 infection. We first successfully modelled the 3D structure of HCoV-NL63 RNA-dependent RNA polymerase (RdRp) based on the experimentally solved SARS-CoV-2 RdRp structure. Molecular docking indicated that favipiravir has similar binding affinities to SARS-CoV-2 and HCoV-NL63 RdRp with LibDock scores of 75 and 74, respectively. The LibDock scores of remdesivir to SARS-CoV-2 and HCoV-NL63 were 135 and 151, suggesting that remdesivir may have a higher affinity to HCoV-NL63 compared to SARS-CoV-2 RdRp. In cell culture models infected with HCoV-NL63, both favipiravir and remdesivir significantly inhibited viral replication and production of infectious viruses. Overall, remdesivir compared to favipiravir is more potent in inhibiting HCoV-NL63 in cell culture. Importantly, there is no evidence of resistance development upon long-term exposure to remdesivir. Furthermore, combining favipiravir or remdesivir with the clinically used antiviral cytokine interferon-alpha resulted in synergistic effects. These findings provided a proof-of-concept that anti-SARS-CoV-2 drugs, in particular remdesivir, have the potential to be repurposed for treating HCoV-NL63 infection.
Subject(s)

Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Antiviral Agents / Pyrazines / RNA-Dependent RNA Polymerase / Adenosine Monophosphate / Alanine / Coronavirus NL63, Human / Amides Type of study: Prognostic_studies Limits: Animals / Humans Language: En Journal: Sci Rep Year: 2021 Document type: Article Affiliation country: Country of publication:

Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Antiviral Agents / Pyrazines / RNA-Dependent RNA Polymerase / Adenosine Monophosphate / Alanine / Coronavirus NL63, Human / Amides Type of study: Prognostic_studies Limits: Animals / Humans Language: En Journal: Sci Rep Year: 2021 Document type: Article Affiliation country: Country of publication: