Crystallographic structure of wild-type SARS-CoV-2 main protease acyl-enzyme intermediate with physiological C-terminal autoprocessing siteArticle Published on 2020-11-182022-10-04 Journal: Nature Communications [Category] SARS, 변종, 치료제, [키워드] Antiviral antiviral drug autocleavage binding C-terminal catalytic cause cleavage conformational change coronavirus 2 COVID-19 Critical cysteine protease determine Drug discovery Enzyme mechanisms event feature identify M pro maturation mechanism molecular docking mutant Mutation nonstructural protein occur pathogen physiological polyproteins protease replicase polyprotein representing respiratory responsible SARS-CoV-2 SARS-CoV-2 main protease sequence subsequent the disease therapeutic viral replication wild-type wild-type SARS-CoV-2 X-ray crystallographic structure X-ray crystallography [DOI] 10.1038/s41467-020-19662-4 PMC 바로가기 [Article Type] Article
A comprehensive review on promising anti-viral therapeutic candidates identified against main protease from SARS-CoV-2 through various computational methodsReview Published on 2020-11-032022-10-30 Journal: Journal of Genetic Engineering & Biotechnology [Category] COVID-19, [키워드] 3CLpro Abstract Anti-viral antibiotic applied binding biological activity candidate cause caused complexes computational method COVID-19 pandemic cysteine protease derivatives drug drug-repurposing functional generate identify imperative in silico in silico Approach Infection information inhibit inhibitor inhibitors interacting residues interaction pattern intermolecular interaction Ligand-based virtual screening (LBVS) ligand-bound molecular nucleotide analogues parameter peptides potential therapeutic agent protease protease inhibitors Proteins provide replicase polyprotein SARS-CoV-2 shown stability Structure Structure-based virtual screening (SBVS) structures therapeutic viral replication Virtual screening virulent virus [DOI] 10.1186/s43141-020-00085-z PMC 바로가기 [Article Type] Review
Structure‐Activity Relationships of Benzamides and Isoindolines Designed as SARS‐CoV Protease Inhibitors Effective against SARS‐CoV‐2Full Paper Published on 2020-10-162022-10-31 Journal: ChemMedChem [Category] COVID-19, SARS, [키워드] acute respiratory syndrome antiviral activity Antiviral agents Benzamide binding mode Cell culture Computational chemistry coronavirus CoV cysteine protease cytotoxicity drug design highlight homologous Infection inhibit inhibition inhibitor inhibitors Isoindoline Pathogens protease protease inhibitors relationship Replication SAR SARS‐CoV‐2 shown similarity starting point Structure-activity relationships target proteases treat [DOI] 10.1002/cmdc.202000548 PMC 바로가기 [Article Type] Full Paper
High-Throughput Screening for Inhibitors of the SARS-CoV-2 Protease Using a FRET-BiosensorArticle Published on 2020-10-132022-10-30 Journal: Molecules [Category] COVID-19, MERS, SARS, [키워드] 3CL pro 3CLpro antiviral drug apomorphine aporphine assays Compound COVID-19 cysteine protease develop drugs Ebselen equipment exhibiting FIVE fluorescent protein Follow-up inhibitor inhibitors Laboratory library linker molecular offer performed protease reagents SARS-CoV-2 SARS-CoV-2 pandemic Screening the SARS-CoV-2 therapeutic utility Vaccine [DOI] 10.3390/molecules25204666 PMC 바로가기 [Article Type] Article
Biochemical screening for SARS-CoV-2 main protease inhibitorsSARS-CoV-2 주요 프로테아제 억제제에 대한 생화학적 스크리닝Research Article Published on 2020-10-062022-08-13 Journal: PLoS ONE [Category] Biochemistry, COVID-19, MERS, SARS, [키워드] Acetate antiviral drug Benzophenone biochemical Compound Corona cysteine cysteine protease derivative drugs Evan Evans blue expressed fluorescent host cell host cells identify inhibitor inhibitors inhibitors of SARS-CoV-2 lead M pro non-structural proteins pandemic performed phenylmercuric acetate polymerases polyproteins precursor protease Proteases replicate respiratory SARS-CoV M SARS-CoV-2 SARS-CoV-2 main protease Severe acute respiratory syndrome Severe Acute Respiratory Syndrome Corona Virus sulfonic acid target thimerosal virus was used [DOI] 10.1371/journal.pone.0240079 PMC 바로가기 [Article Type] Research Article
Room-temperature neutron and X-ray data collection of 3CL M pro from SARS-CoV-2Research Communications Published on 2020-10-012022-10-28 Journal: Acta Crystallographica. Section F [Category] COVID-19, MERS, SARS, [키워드] 3CL 3CL Mpro catalytic catalytic dyad catalytic site cleavage collected Cys145 cysteine protease described determine enzyme functional His41 inactive information M pro mechanism neutron diffraction polyproteins pp1a pp1ab Proteins protonation state replication of SARS-CoV-2 residue SARS-CoV-2 X-ray X-ray data collection X-ray diffraction [DOI] 10.1107/S2053230X20011814 PMC 바로가기 [Article Type] Research Communications
Flavonoid glycosides and their putative human metabolites as potential inhibitors of the SARS-CoV-2 main protease (Mpro) and RNA-dependent RNA polymerase (RdRp)Original Article Published on 2020-09-302022-10-29 Journal: Memórias do Instituto Oswaldo Cruz [Category] COVID-19, MERS, SARS, [키워드] 3CLpro active sites acute respiratory syndrome analysed approach approaches coronavirus Coronavirus disease 2019 COVID-19 cysteine protease derivative derivatives docking analysis docking result Dysphania ambrosioides evidenced flavonoid glucuronides glycoside human organism Hydrogen bond in silico in vitro in vivo experiments indicated Infection inhibitor Interaction metabolite molecular docking MPro nicotiflorin non-structural protein pandemic Phytomedicines predicted protease Proteins RdRP Region reported risk RNA-dependent RNA polymerase rutin SARS-CoV-2 stages target the binding affinity the SARS-CoV-2 viral replication Virtual screening WHO World Health Organization [DOI] 10.1590/0074-02760200207 PMC 바로가기 [Article Type] Original Article
Current approaches for target-specific drug discovery using natural compounds against SARS-CoV-2 infectionReview Published on 2020-09-242022-10-04 Journal: Virus research [Category] MERS, SARS, 신약개발, 치료제, [키워드] 3CL pro Abstract ACE2 acute respiratory syndrome Affect Angiotensin-converting enzyme anti-SARS-CoV-2 Antiviral approach assays caused China Compound coronavirus disease Coronavirus-2 coughing COVID-19 COVID-19 infection current cysteine protease derivative derivatives develop disease domains Drug discovery drug target drugs effective Genetic globe Helicase herbal medicines host cell receptor individual lack MERS MERS-CoV Middle East natural natural compounds outbreak pandemic pandemic of COVID-19 physical RdRP reported required researcher respiratory respiratory syndrome coronavirus RNA-dependent RNA polymerase S1 and S2 Safe SARS SARS CoV SARS CoV-2 SARS-CoV-2 SARS-COV-2 infection similarity spike glycoprotein target therapeutic agent therapeutic agents therapeutic efficacy viral disease viral infections Viral protein [DOI] 10.1016/j.virusres.2020.198169 PMC 바로가기 [Article Type] Review
Assessment of proton-coupled conformational dynamics of SARS and MERS coronavirus papain-like proteases: Implication for designing broad-spectrum antiviral inhibitorsARTICLES Published on 2020-09-212022-10-30 Journal: The Journal of Chemical Physics [Category] COVID-19, SARS, [키워드] acute respiratory syndrome antiviral drug antiviral inhibitor assessment assist calculated catalytic caused computation conformational coronavirus CoV cysteine cysteine protease drug target Evidence flexible GPU Hypothesis inhibitor lack MERS coronavirus MERS-CoV Middle East modulate molecular Outbreaks pandemic Papain-like protease physiological plasticity PLPro Prevent protonation state residue respiratory syndrome coronavirus SARS-CoV SARS-CoV-2 Simulation starting point structure-based design Support supported viral life cycle [DOI] 10.1063/5.0020458 PMC 바로가기 [Article Type] ARTICLES
Understanding Selenium and Glutathione as Antiviral Factors in COVID-19: Does the Viral M pro Protease Target Host Selenoproteins and Glutathione Synthesis?Nutrition Published on 2020-09-022022-10-31 Journal: Frontiers in Nutrition [Category] COVID-19, [키워드] activate Algorithm antioxidant catalytically active cleavage site Clinical outcome component contribute coronavirus correlation COVID-19 cysteine protease Cytokine storm cytosolic deficiency DNA Effect exacerbated expected Factor glutathione Glutathione peroxidase glutathione peroxidase 1 GPx GPX1 inactive Inflammation inhibit knockdown M pro mechanism mutant NF-κB NF-κB activation oxidative stress precursors pro-inflammatory cytokines protease proteolytic rate-limiting enzyme reactive oxygen specy resulting ribonucleotide RNA synthesis SARS-CoV M SARS-CoV-2 Selenium SELENOF selenoprotein sequence shown target thioredoxin reductase transfected cells turn understanding virion production wild-type [DOI] 10.3389/fnut.2020.00143 PMC 바로가기 [Article Type] Nutrition