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Basic Characteristics of Mutations
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Mutation Site
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E166V |
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Mutation Site Sentence
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It is worthy that C5N17B retains antiviral activity against nirmatrelvir-resistant strains with T21I/E166V and L50F/E166V mutations in Mpro (EC50 = 0.26 and 0.15 microM, respectively). |
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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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- |
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Viral Reference
|
-
|
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Functional Impact and Mechanisms
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Disease
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Cell line
|
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Immune
|
- |
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Target Gene
|
-
|
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Clinical and Epidemiological Correlations
|
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Clinical Information
|
- |
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Treatment
|
nirmatrelvir;ensitrelvir |
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Location
|
- |
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Literature Information
|
|
PMID
|
39319611
|
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Title
|
Miniaturized Modular Click Chemistry-enabled Rapid Discovery of Unique SARS-CoV-2 M(pro) Inhibitors With Robust Potency and Drug-like Profile
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Author
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Yang M,Lee MK,Gao S,Song L,Jang HY,Jo I,Yang CC,Sylvester K,Ko C,Wang S,Ye B,Tang K,Li J,Gu M,Muller CE,Strater N,Liu X,Kim M,Zhan P
|
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Journal
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Advanced science (Weinheim, Baden-Wurttemberg, Germany)
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Journal Info
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2024 Nov;11(43):e2404884
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Abstract
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The COVID-19 pandemic has required an expeditious advancement of innovative antiviral drugs. In this study, focused compound libraries are synthesized in 96- well plates utilizing modular click chemistry to rapidly discover potent inhibitors targeting the main protease (M(pro)) of SARS-CoV-2. Subsequent direct biological screening identifies novel 1,2,3-triazole derivatives as robust M(pro) inhibitors with high anti-SARS-CoV-2 activity. Notably, C5N17B demonstrates sub-micromolar M(pro) inhibitory potency (IC(50) = 0.12 microM) and excellent antiviral activity in Calu-3 cells determined in an immunofluorescence-based antiviral assay (EC(50) = 0.078 microM, no cytotoxicity: CC(50) > 100 microM). C5N17B shows superior potency to nirmatrelvir (EC(50) = 1.95 microM) and similar efficacy to ensitrelvir (EC(50) = 0.11 microM). Importantly, this compound displays high antiviral activities against several SARS-CoV-2 variants (Gamma, Delta, and Omicron, EC(50) = 0.13 - 0.26 microM) and HCoV-OC43, indicating its broad-spectrum antiviral activity. It is worthy that C5N17B retains antiviral activity against nirmatrelvir-resistant strains with T21I/E166V and L50F/E166V mutations in M(pro) (EC(50) = 0.26 and 0.15 microM, respectively). Furthermore, C5N17B displays favorable pharmacokinetic properties. Crystallography studies reveal a unique, non-covalent multi-site binding mode. In conclusion, these findings substantiate the potential of C5N17B as an up-and-coming drug candidate targeting SARS-CoV-2 M(pro) for clinical therapy.
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Sequence Data
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-
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