Small molecule interactions with the SARS-CoV-2 main protease: In silico all-atom microsecond MD simulations, PELE Monte Carlo simulations, and determination of in vitro activity inhibitionSARS-CoV-2 주요 프로테아제와의 소분자 상호작용: 인실리코 전 원자 마이크로초 MD 시뮬레이션, PELE 몬테카를로 시뮬레이션 및 시험관 내 활성 억제 결정Article Published on 2022-01-012022-09-11 Journal: Journal of molecular graphics & modelling [Category] MERS, SARS, 변종, 진단, 치료제, [키워드] active site acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 Antiviral caused clinical evaluation clinical trials concentrations coronavirus COVID-19 COVID-19 pandemic Critical Cyanidin-3-O-glucoside demonstrated domain dose-dependent manner Effective vaccines enzymatic activity eradication experiments FDA GC376 glucoside highlight Hypericin in vitro in vitro activity inhibit inhibitor Interaction less Ligand ligands M pro main protease MD simulations molecular molecular dynamics Molecular modelling notable Orphan Drug performed positive control Previous studies protease respiratory Safe SARS-CoV-2 SARS-CoV-2 main protease severe acute respiratory syndrome Coronavirus situation small molecule stability the SARS-CoV-2 Trajectories Vaccine hesitancy variants of concern was used [DOI] 10.1016/j.jmgm.2021.108050 PMC 바로가기 [Article Type] Article
Atazanavir Is a Competitive Inhibitor of SARS-CoV-2 M pro , Impairing Variants Replication In Vitro and In VivoArticle Published on 2021-12-242022-10-28 Journal: Pharmaceuticals [Category] COVID-19, [키워드] 2019 coronavirus disease acute respiratory syndrome administration antiretroviral assays Atazanavir B.1 lineage catalytic cell death contribute coronavirus COVID-19 demonstrated Effectiveness enzyme expression humans in vivo indicated Inflammation inhibited inhibitor inhibitory Interaction K18-hACE2 less Lineage lung M pro mechanism of action mice molecular docking pharmacokinetics positive control protease Protease inhibitor repurposing drugs SARS-CoV-2 SARS-CoV-2 main protease specific inhibitor susceptible transgenic mice treated variant [DOI] 10.3390/ph15010021 PMC 바로가기 [Article Type] Article
Discovery of juglone and its derivatives as potent SARS-CoV-2 main proteinase inhibitors강력한 SARS-CoV-2 주요 단백질분해효소 억제제로서의 주글론 및 그 유도체의 발견Article Published on 2021-12-052022-09-11 Journal: European journal of medicinal chemistry [Category] MERS, SARS, 신약개발, 진단, [키워드] acetyl active site Amino acid amino acid residue Analysis antiviral activity caused Characteristics characterized Concentration concentrations contributed coronavirus COVID-19 demonstrated derivative Drug discovery Efficacy enzyme evaluated exhibited Host host cells hydrogen Hydrogen bond hydrogen bonds hydrolysis in vitro ingredient inhibit inhibitor inhibitors inhibitory inhibitory activity Juglone M pro M(pro) inhibitors molecular docking studies much higher naphthoquinone Naphthoquinones non-toxic outbreak peptide polyprotein positive control positive-sense single-stranded RNA protease proteinase Replication replication of SARS-CoV-2 Research RNA coronavirus SARS SARS-CoV-2 significantly suppress tested Transcription Vero E6 Vero E6 cell VERO E6 cells Viral virus [DOI] 10.1016/j.ejmech.2021.113789 PMC 바로가기 [Article Type] Article
Generation of False-Positive SARS-CoV-2 Antigen Results with Testing Conditions outside Manufacturer Recommendations: A Scientific Approach to Pandemic MisinformationResearch Article Published on 2021-10-202022-10-30 Journal: Microbiology Spectrum [Category] COVID-19, MERS, SARS, [키워드] Abbott abrogated acute respiratory syndrome Ag-RDT Ag-RDTs antibodies antibody Antigen Anxiety buffer Care claimed clinical methods component condition conditions conducted conformational change coronavirus coronavirus disease country COVID-19 Critical demonstrated diagnostics Direct dissemination Epidemiology experiment extreme False positive False-positive False-positive results generate Generation Health help Interaction Laboratory mechanism media misinformation NaCl nonspecific occur offer PanBio Panbio assay pandemic positive control professionals proteinase public health Reactions recommendation recommendations reduce required resources Result resulting SARS-CoV-2 SARS-CoV-2 antigen shown specimen Support supported temperature tested Testing Treatment Tween 20 Virology while [DOI] 10.1128/Spectrum.00683-21 PMC 바로가기 [Article Type] Research Article
Validation of conventional PCR-like alternative to SARS-CoV-2 detection with target nucleocapsid protein gene in naso-oropharyngeal samples나스-오만 핵 샘플에서 표적 뉴 클레오 캡시드 단백질 유전자에 의한 SARS-COV-2 검출에 대한 종래의 PCR- 유사 대안의 검증Research Article Published on 2021-09-232022-09-10 Journal: PLoS ONE [Category] SARS, 진단, 치료기술, 치료법, 치료제, [키워드] Accuracy alternative alternative method alternative methods bioinformatics can be used condition conditions Conventional correlation coefficient correlations Detection limit develop Diagnosis diagnostic test diagnostic tests epidemiological studies Epidemiological study expected generate Health health problem Infection N gene naso-oropharyngeal sample naso-oropharyngeal swab nucleocapsid protein Patient positive control primer product qPCR RT-PCR SARS-CoV-2 SARS-CoV-2 detection sensitivity specificity Spread validation was determined [DOI] 10.1371/journal.pone.0257350 PMC 바로가기 [Article Type] Research Article
Bioguided Isolation of Cyclopenin Analogues as Potential SARS-CoV-2 M pro Inhibitors from Penicillium citrinum TDPEF34Article Published on 2021-09-152022-10-28 Journal: Biomolecules [Category] COVID-19, SARS, [키워드] analogue analysed anti-SARS-CoV-2 binding comparable Compound Critical cyclopenin docking drug candidates Drug discovery drug-likeness effective enzyme fungal H-bonding hydrophobic interactions identify in silico in vitro in vivo Infection information inhibit inhibiting inhibitors inhibitory activity Isolation M pro MPro molecular molecular dynamic simulations Mutation natural pandemic Penicillium Penicillium citrinum positive control Potential predicted protease reduce SARS-CoV-2 SARS-CoV-2 virus screened severity these compound Vaccine virulence virus [DOI] 10.3390/biom11091366 PMC 바로가기 [Article Type] Article
Clinical and in Vitro Evidence against Placenta Infection at Term by Severe Acute Respiratory Syndrome Coronavirus 2중증 급성 호흡기 증후군 코로나바이러스 2에 의한 기간 태반 감염에 대한 임상 및 시험관 내 증거Clinical Trial Published on 2021-09-012022-09-11 Journal: The American journal of pathology [Category] SARS, 유전자 메커니즘, 임상, 치료기술, [키워드] absence acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 analyzed angiotensin Angiotensin-converting enzyme angiotensin-converting enzyme 2 Cell clinical consequence coronavirus coronavirus 2 coronavirus disease Defense demise during pregnancy enzyme expression fetus Host immunohistochemistry In situ hybridization Infection mechanism membrane mother Newborn not express Placenta Placental infection Placentas positive control Pregnancy Pregnancy confirmed protease Protein quantification question raise receptor Replication respiratory reverse transcriptase reverse transcriptase PCR SARS-CoV-2 SARS-CoV-2 entry SARS-CoV-2 virions Serine serine 2 severe acute respiratory syndrome Coronavirus supernatant syncytium term TMPRSS2 transmembrane transmembrane protease serine 2 Transmission undetectable Vero E6 vertical transmission virus [DOI] 10.1016/j.ajpath.2021.05.009 PMC 바로가기 [Article Type] Clinical Trial
GC-MS, LC-MS/MS, Docking and Molecular Dynamics Approaches to Identify Potential SARS-CoV-2 3-Chymotrypsin-Like Protease Inhibitors from Zingiber officinale RoscoeGC-MS, LC-MS/MS, 도킹 및 분자 역학 접근법은 Zingiber Officinale Roscoe로부터 잠재적 인 SARS-COV-2 3- chymotrypsin- 유사 프로테아제 억제제를 식별하기위한 접근법.Article Published on 2021-08-282022-08-31 Journal: Molecules [Category] SARS, 치료제, [키워드] Zingiber officinale 24-Methylcholesta-7-en-3β-on 3CL 3CL Protease absence Analysis binding energy chymotrypsin complex Compound compounds docking Dynamics enzyme evaluate GC-MS identify inhibitory activity inhibitory potency Isolation LC-MS/MS MD simulation MD simulations metabolite methanol molecular molecular docking molecular dynamics molecular interaction NMR nootkatone positive control Potential Predictive protease SARS-CoV-2 Secondary Metabolite secondary metabolites spinasterol stability steroid Steroids suggested Zingiber [DOI] 10.3390/molecules26175230 PMC 바로가기 [Article Type] Article
Human Basigin (CD147) Does Not Directly Interact with SARS-CoV-2 Spike GlycoproteinResearch Article Published on 2021-08-112022-10-30 Journal: mSphere [Category] COVID-19, MERS, SARS, [키워드] acute respiratory syndrome Basigin binding CD147 complex coronavirus coronavirus disease COVID-19 effective effort erythrocytes Escherichia coli expressed Factor full-length spike glycoprotein Health homolog Hospitalization Host host cells Human IgG IMPROVE Inclusion Infection Interaction Invasion ligands mammalian cells morbidity Mortality observation Plasmodium falciparum malaria polyclonal positive control preventing infection Protein Proteins RBD Receptor binding domain Replication reported SARS-CoV-2 SARS-COV-2 infection SARS-CoV-2 spike glycoprotein size exclusion chromatography spike the RBD the spike protein therapeutic target Treatment VERO E6 cells viral entry virus entry Virus-host interactions with COVID-19 [DOI] 10.1128/mSphere.00647-21 PMC 바로가기 [Article Type] Research Article
Identification of drugs associated with reduced severity of COVID-19 – a case-control study in a large populationCOVID-19의 중증도 감소와 관련된 약물 식별 – 대규모 인구를 대상으로 한 사례 대조 연구Research Article Published on 2021-07-272022-09-10 Journal: eLife [Category] SARS, 치료제, [키워드] 95% CI 95% confidence interval acquisition adjust artificial tears Care Case-control case-control study cholesterol Cohort conducted control patients coronavirus disease Coronavirus disease 2019 COVID-19 COVID-19 hospitalization disease severity drug eye care Ezetimibe false discovery rate Fisher’s exact test FIVE flecainide funding General population healthcare Hospitalization Hospitalized Human identification identify Intramural investigated medication medications multiple testing Odds ratio outcome measure outcome measures P-value pathway Patient population study positive control Program protective effect reduced Research Retrospective study risk risk of COVID-19 Rosuvastatin SARS-CoV-2 service severe disease severity of COVID-19 significantly supported treat Ubiquinone Vitamin D was used [DOI] 10.7554/eLife.68165 PMC 바로가기 [Article Type] Research Article