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Open AccessCommunication

Detailed Molecular Interactions of Favipiravir with SARS-CoV-2, SARS-CoV, MERS-CoV, and Influenza Virus Polymerases In Silico

1
Advanced Medical Science Research Center, Gunma Paz University, Shibukawa, Gunma 377-0008, Japan
2
Department of Respiratory medicine, Kyorin University Hospital of medicine, Mitaka, Tokyo 181-8611, Japan
3
School of Medical Technology, Faculty of Health Science, Gumma Paz University, Takasaki, Gunma 370-0006, Japan
4
Department of Pediatrics, Sapporo Medical University School of Medicine, Sapporo, Hokkaido 060-8543, Japan
5
College of Science and Technology, Nihon University, Tokyo 101-0062, Japan
6
Infectious Disease Surveillance Center, National Institute of Infectious Diseases, Tokyo 162-8640, Japan
7
Pathogen Genomics Center, National Institute of Infectious Diseases, Tokyo 208-0011, Japan
8
Department of Microbiology, Yokohama City University School of Medicine, Yokohama, Kanagawa 236-0004, Japan
9
Department of Health Science, Gunma Paz University Graduate School of Health Sciences, Takasaki, Gunma 370-0006, Japan
*
Author to whom correspondence should be addressed.
Microorganisms 2020, 8(10), 1610; https://doi.org/10.3390/microorganisms8101610
Received: 3 September 2020 / Revised: 15 October 2020 / Accepted: 18 October 2020 / Published: 20 October 2020
Favipiravir was initially developed as an antiviral drug against influenza and is currently used in clinical trials against severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) infection (COVID-19). This agent is presumably involved in RNA chain termination during influenza virus replication, although the molecular interactions underlying its potential impact on the coronaviruses including SARS-CoV-2, SARS-CoV, and Middle East respiratory syndrome coronavirus (MERS-CoV) remain unclear. We performed in silico studies to elucidate detailed molecular interactions between favipiravir and the SARS-CoV-2, SARS-CoV, MERS-CoV, and influenza virus RNA-dependent RNA polymerases (RdRp). As a result, no interactions between favipiravir ribofuranosyl-5′-triphosphate (F-RTP), the active form of favipiravir, and the active sites of RdRps (PB1 proteins) from influenza A (H1N1)pdm09 virus were found, yet the agent bound to the tunnel of the replication genome of PB1 protein leading to the inhibition of replicated RNA passage. In contrast, F-RTP bound to the active sites of coronavirus RdRp in the presence of the agent and RdRp. Further, the agent bound to the replicated RNA terminus in the presence of agent, magnesium ions, nucleotide triphosphate, and RdRp proteins. These results suggest that favipiravir exhibits distinct mechanisms of action against influenza virus and various coronaviruses. View Full-Text
Keywords: favipiravir; COVID-19; SARS-CoV-2; influenza; RdRp; in silico favipiravir; COVID-19; SARS-CoV-2; influenza; RdRp; in silico
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MDPI and ACS Style

Sada, M.; Saraya, T.; Ishii, H.; Okayama, K.; Hayashi, Y.; Tsugawa, T.; Nishina, A.; Murakami, K.; Kuroda, M.; Ryo, A.; Kimura, H. Detailed Molecular Interactions of Favipiravir with SARS-CoV-2, SARS-CoV, MERS-CoV, and Influenza Virus Polymerases In Silico. Microorganisms 2020, 8, 1610. https://doi.org/10.3390/microorganisms8101610

AMA Style

Sada M, Saraya T, Ishii H, Okayama K, Hayashi Y, Tsugawa T, Nishina A, Murakami K, Kuroda M, Ryo A, Kimura H. Detailed Molecular Interactions of Favipiravir with SARS-CoV-2, SARS-CoV, MERS-CoV, and Influenza Virus Polymerases In Silico. Microorganisms. 2020; 8(10):1610. https://doi.org/10.3390/microorganisms8101610

Chicago/Turabian Style

Sada, Mitsuru; Saraya, Takeshi; Ishii, Haruyuki; Okayama, Kaori; Hayashi, Yuriko; Tsugawa, Takeshi; Nishina, Atsuyoshi; Murakami, Koichi; Kuroda, Makoto; Ryo, Akihide; Kimura, Hirokazu. 2020. "Detailed Molecular Interactions of Favipiravir with SARS-CoV-2, SARS-CoV, MERS-CoV, and Influenza Virus Polymerases In Silico" Microorganisms 8, no. 10: 1610. https://doi.org/10.3390/microorganisms8101610

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