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Basic Characteristics of Mutations
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Mutation Site
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P132H |
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Mutation Site Sentence
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CONCLUSIONS: According to this study, Paxlovid may work on new strains, including Omicron, because the Mpro mutation P132H in the Omicron variant has no direct effect on the protein. |
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Mutation Level
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Amino acid level |
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Mutation Type
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Nonsynonymous substitution |
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Gene/Protein/Region
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Mpro |
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Standardized Encoding Gene
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ORF1a
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Genotype/Subtype
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Omicron |
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Viral Reference
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-
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Functional Impact and Mechanisms
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Disease
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COVID-19
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Immune
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- |
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Target Gene
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-
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Clinical and Epidemiological Correlations
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Clinical Information
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- |
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Treatment
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- |
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Location
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- |
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Literature Information
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PMID
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36368287
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Title
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The efficacy of Paxlovid against COVID-19 is the result of the tight molecular docking between M(pro) and antiviral drugs (nirmatrelvir and ritonavir)
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Author
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Dawood AA
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Journal
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Advances in medical sciences
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Journal Info
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2023 Mar;68(1):1-9
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Abstract
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PURPOSE: Currently, a number of medications for coronavirus disease 2019 (COVID-19) treatment are tested in clinical trials; however, credible clinical studies are becoming increasingly difficult to come by. Paxlovid is a ritonavir-boosted nirmatrelvir drug that the U.S. Food and Drug Administration (FDA) authorized for the treatment of COVID-19. This study aimed to demonstrate the interaction of nirmatrelvir and ritonavir on the active site of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) main protease (M(pro)). MATERIALS AND METHODS: To locate the optimal docking between M(pro) and antiviral drugs, and to conduct dynamic simulations between atoms in the fusion areas, various bioinformatics and mathematical equations were applied. RESULTS: According to the docking data, nirmatrelvir has a stronger interaction with M(pro) than ritonavir, which has more multiple bonds. Molecular docking of antiviral drugs such as Paxlovid has a significant impact on the treatment of COVID-19 virus. CONCLUSIONS: According to this study, Paxlovid may work on new strains, including Omicron, because the M(pro) mutation P132H in the Omicron variant has no direct effect on the protein.
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Sequence Data
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-
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