Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug carmofur Research Published on 2020-05-072022-10-05 Journal: Nature Structural & Molecular Biology [Category] SARS, 치료제, [키워드] Antiviral treatment Carmofur catalytic Cell complex COVID-19 Cys145 develop fatty hydrophobic inhibit MPro protease reactive reveal SARS-CoV-2 main protease shown the SARS-CoV-2 viral replication X-ray [DOI] 10.1038/s41594-020-0440-6 [Article Type] Research
Discovery of potential multi-target-directed ligands by targeting host-specific SARS-CoV-2 structurally conserved main proteaseResearch Article Published on 2020-05-052023-06-14 Journal: Journal of biomolecular structure & dynamics [Category] MERS, SARS, [키워드] coronavirus COVID-19 hACE-2 MPro multi-target-directed ligand Protease inhibitor RdRP SARS-CoV-2 virus [DOI] 10.1080/07391102.2020.1760137 PMC 바로가기 [Article Type] Research Article
Molecular docking analysis of Withaferin A from Withania somnifera with the Glucose regulated protein 78 (GRP78) receptor and the SARS-CoV-2 main proteaseResearch-Article Published on 2020-04-302022-10-28 Journal: Bioinformation [Category] COVID-19, [키워드] Analysis Artemisinin binding energy cellular receptor Compound COVID-19 COVID-19 pandemic Critical docking effective feature GRP78 Interaction interaction pattern molecular docking analysis MPro protease Protein receptor regulated SARS-CoV-2 main protease the SARS-CoV-2 Withaferin A [DOI] 10.6026/97320630016411 PMC 바로가기 [Article Type] Research-Article
Structural and Evolutionary Analysis Indicate That the SARS-CoV-2 Mpro Is a Challenging Target for Small-Molecule Inhibitor DesignArticle Published on 2020-04-282022-10-29 Journal: International Journal of Molecular Sciences [Category] COVID-19, SARS, [키워드] absence active site acute respiratory syndrome Analysis binding classical conformational change contribute coronavirus COVID-19 de novo drug drug design effective Evolutionary analysis flexible future infection indicated inhibitor inhibitors ligand tracking approach Molecular dynamics simulation molecular dynamics simulations MPro Mpro protein mutability Mutation Novel coronavirus offer outbreak plasticity protease Protein protein stability residue SARS-CoV SARS-CoV-2 sequence similarity significantly small-molecule inhibitors Spread stability target the SARS-CoV-2 took place Vaccine viruses [DOI] 10.3390/ijms21093099 PMC 바로가기 [Article Type] Article
Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors Research Published on 2020-04-092022-10-05 Journal: Nature [Category] SARS, 신약개발, 치료제, [키워드] acute respiratory syndrome antiviral activity approved drugs assays clinical trial Clinical use Combination complex Compound computer-aided drug design coronavirus coronavirus coronavirus disease disease drug drug candidate drug design Drug screening drug target Ebselen effective Efficacy enzyme exhibited half-maximal inhibitory concentration Infectious disease inhibited inhibitor MPro New coronavirus outbreak protease ranged responsible SARS-CoV-2 screening strategy Structure therapeutic agent these compound Transcription Treatment Vaccine Viral pneumonia viral replication [DOI] 10.1038/s41586-020-2223-y [Article Type] Research
From SARS and MERS CoVs to SARS‐CoV‐2: Moving toward more biased codon usage in viral structural and nonstructural genesResearch Article Published on 2020-03-162022-11-01 Journal: Journal of medical virology [Category] COVID-19, MERS, SARS, [키워드] acute respiratory syndrome Analysis analyzed changes in codon Codon Bias codon usage Codons coronavirus Coronaviruses CoV COVID‐19 CoVs effective Efficiency emerging disease envelope Epidemics Frequency Gene Expression Genes Genome highest in viral knowledge membrane MERS MERS CoV Middle East MOST MPro nonstructural protein nucleotide outcomes pangolin pangolins pathogenic preferred codons protease purines question resolved Result RNA‐dependent RNA polymerase SARS‐CoV‐2 SARS‐CoV‐2 spike structural protein structural proteins syndrome synonymous [DOI] 10.1002/jmv.25754 PMC 바로가기 [Article Type] Research Article
Computation screening and molecular docking of FDA approved viral protease inhibitors as a potential drug against COVID-19Original Article Published on 2020-01-012022-10-31 Journal: Gastroenterology and Hepatology From Bed to Bench [Category] COVID-19, [키워드] 6LU7 Algorithm anti-CoV drug antiprotease applied approach approved binding binding site calculated Cobicistat compounds conducted conformation conformations COVID-19 demonstrated determine docking docking scores docking study DOS drug drugs Effectiveness exhibited FDA FDA approved drug In-vitro inhibitor Interaction Ligand main protease molecular docking molecular target MPro Mpro/6LU7 potential therapeutic agents protease Protease inhibitor Protein Repository Result RMSD screened selected selected drug Simeprevir Spread Temoporfin the disease Treatment Viral antiprotease drugs was obtained was performed with COVID-19 PMC 바로가기 [Article Type] Original Article