Molecular designing, crystal structure determination and in silico screening of copper(II) complexes bearing 8-hydroxyquinoline derivatives as anti-COVID-19항COVID-19로서 8-하이드록시퀴놀린 유도체를 함유하는 구리(II) 착물의 분자 설계, 결정 구조 결정 및 인실리코 스크리닝Article Published on 2021-05-012022-08-31 Journal: Bioorganic chemistry [Category] MERS, SARS, 신약개발, 치료제, [키워드] active site ADP-ribose-1 monophosphatase enzyme analogue binding characterized Chloroquine complexes copper Copper complex COVID-19 defined derivative drugs earth enzyme everything favor group hydrophobic Hydroxychloroquine in silico indicated life Ligand ligands market mechanism of action mental health moment pandemic physical physical and mental health polar ribose SARS-CoV-2 screened target protein tested Vaccine Viral virus X-ray diffraction [DOI] 10.1016/j.bioorg.2021.104772 PMC 바로가기 [Article Type] Article
Discovery and functional interrogation of SARS-CoV-2 RNA-host protein interactionsArticle Published on 2021-04-292022-10-31 Journal: Cell [Category] COVID-19, MERS, SARS, [키워드] Abstract anti-SARS-CoV-2 Antiviral antiviral activity antiviral immunity antiviral response approach ChIRP-MS Comparative analysis complexes connection CRISPR CRISPR screen CRISPR Screens defined demonstrated Factors functional global mortality highlight highlighting Host host protein host-pathogen interactions identify Immunity Infection integration Interaction majority Mitochondria organelle pandemic pathway physical platform PROTECT Protein protein interaction protein interactions rhinovirus RNA RNA virus RNA-binding proteins RNA-protein complex SARS-CoV-2 SARS-COV-2 infection SARS-CoV-2 RNA Seven specificity the SARS-CoV-2 Therapeutic benefit These data virus virus-induced cell death [DOI] 10.1016/j.cell.2021.03.012 PMC 바로가기 [Article Type] Article
Alpha 1 Antitrypsin is an Inhibitor of the SARS-CoV-2–Priming Protease TMPRSS2Research Article Published on 2021-04-262022-10-28 Journal: Pathogens and Immunity [Category] COVID-19, [키워드] ACE2 affecting Alpha Alpha 1 antitrypsin angiotensin-converting enzyme 2 antitrypsin binding Camostat mesylate cell entry complexes coronavirus coronavirus S protein Coronaviruses COVID disease severity dissemination docked domain effective Extracellular FDA-approved drug host cells identify implicated Infection membrane MERS plasma priming protease receptor SARS CoV-2 SARS-CoV SARS-CoV-2 SARS-CoV-2 viral load serine protease serine protease inhibitor suggested Support the S protein TMPRSS2 TMPRSS2 inhibitor TMPRSS2 inhibitors Treatment with COVID-19 [DOI] 10.20411/pai.v6i1.408 PMC 바로가기 [Article Type] Research Article
Computational Simulations Identified Marine-Derived Natural Bioactive Compounds as Replication Inhibitors of SARS-CoV-2Microbiology Published on 2021-04-212022-10-31 Journal: Frontiers in Microbiology [Category] COVID-19, [키워드] 3CL pro 3CLcpsdummypro accelerate acute respiratory syndrome Analysis analyzed approach binding affinity binding free energy caused complexes Compound coronavirus COVID-19 database disease displaying docking docking score drug Drug discovery effective evaluated FIVE health emergency Identified in silico In vitro studies inhibitor interactions MM/PBSA binding free energy MNP molecular molecular docking Molecular dynamics simulation molecular dynamics simulations (MD) molecular interaction natural pharmacokinetic pharmacokinetic properties PLcpsdummypro product Protein Proteins RdRP Replication repurposing required Research residue SARS-CoV-2 SARS-COV-2 infection SARS-CoV-2 virus Simulation small molecule spread of COVID-19 stability target protein the SARS-CoV-2 virus [DOI] 10.3389/fmicb.2021.647295 PMC 바로가기 [Article Type] Microbiology
An Effective MM/GBSA Protocol for Absolute Binding Free Energy Calculations: A Case Study on SARS-CoV-2 Spike Protein and the Human ACE2 Receptor †Article Published on 2021-04-202022-10-30 Journal: Molecules [Category] COVID-19, MERS, SARS, [키워드] Accuracy ACE2 atomic binding binding free energy binding mechanism can be used complex complexes computation computational method Consensus Drug discovery energy Entropy estimate experiment Free Human human ACE2 receptor implicit solvent inefficient molecular normal mode analysis not affect prediction protocol Quantitative representing Research SARS-CoV-2 SARS-CoV-2 spike protein significant decrease solvent spike structures the binding affinity variants of SARS-CoV-2 virus–host interaction [DOI] 10.3390/molecules26082383 PMC 바로가기 [Article Type] Article
Development of Wastewater Pooled Surveillance of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) from Congregate Living Settings집단 생활 환경에서 중증 급성 호흡기 증후군 코로나바이러스 2(SARS-CoV-2)의 폐수 통합 감시 개발Public and Environmental Health Microbiology Published on 2021-04-152022-09-01 Journal: Applied and Environmental Microbiology [Category] MERS, SARS, 진단, 치료기술, [키워드] acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 approach approaches clinical testing collected college dormitory surveillance complexes congregate living surveillance contagious contagious period convalescent coronavirus coronavirus 2 COVID-19 development Diagnostic method Early detection False positive feasibility focus Future future work hospital infected individual infected individuals Infection limit live together Local MONITOR new infections nursing homes outbreak Outbreaks performed pooled surveillance protocol provide respiratory Result SARS-CoV-2 SARS-CoV-2 RNA sensitivity setting severe acute respiratory syndrome Coronavirus sewer sewershed side specificity Stool Surveillance Treatment ultracentrifugation Viral viral fragment virus was determined wastewater wastewater epidemiology without symptoms [DOI] 10.1128/AEM.00433-21 PMC 바로가기 [Article Type] Public and Environmental Health Microbiology
Top-Down and Bottom-Up Proteomics Methods to Study RNA Virus BiologyReview Published on 2021-04-132022-10-28 Journal: Viruses [Category] COVID-19, [키워드] (+)RNA viruses affinity purification liquid chromatography coupled to mass spectrometry (AP-LC-MS/MS) alphaviruses Antiviral approach Biology bottom-up proteomics cellular complex complexes Coronaviruses Critical Effect flaviviruses function functions high mortality Host host responses human disease identify implication information macromolecular mass spectrometry morbidity Pathogenesis Perturbation post-translational modifications Protein protein complexes Replication RNA RNA virus screening method Sequencing Streamline structural proteomics targets top-down proteomics translational unique Viral protein virus [DOI] 10.3390/v13040668 PMC 바로가기 [Article Type] Review
Efficacy of Phytochemicals Derived from Avicennia officinalis for the Management of COVID-19: A Combined In Silico and Biochemical StudyCOVID-19 관리를 위한 Avicennia officinalis에서 추출한 파이토케미컬의 효능: In Silico 및 생화학 연구의 결합Article Published on 2021-04-122022-09-12 Journal: Molecules [Category] MERS, SARS, 진단, [키워드] Avicennia officinalis activity acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 Analysis antioxidant Avicennia binding binding free energy Combined complexes compounds coronavirus coronavirus disease Coronavirus disease 2019 COVID-19 Cys145 cytotoxicity developmental disease docked Effect effective evaluated examined fluctuation free energy GC-MS GLN189 Glu166 gyration healthcare hydrogen Hydrogen bond identify in vitro in vivo inhibitory effect Inhibitory effects main protease management methyl linoleate molecular dynamics Molecular dynamics simulation non-bonded interaction non-bonded interactions pandemic pathogenic pharmacological efficacy phytochemical progressed progression protease radius radius of gyration residue responsible rigidity RMSD RMSF root SARS-CoV-2 SARS-CoV-2 main protease screened surface area the SARS-CoV-2 Treatment Vaccine virus [DOI] 10.3390/molecules26082210 PMC 바로가기 [Article Type] Article
No Evidence for Human Monocyte-Derived Macrophage Infection and Antibody-Mediated Enhancement of SARS-CoV-2 Infection인간 단핵구 유래 대식세포 감염 및 SARS-CoV-2 감염의 항체 매개 증진에 대한 증거 없음Cellular and Infection Microbiology Published on 2021-04-122022-09-12 Journal: Frontiers in Cellular and Infection Microbiology [Category] MERS, SARS, 진단, [키워드] acute respiratory syndrome ADE angiotensin-converting enzyme 2 Antibody-dependent enhancement Cell Clinical outcome common cold complexes convalescent COVID-19 patient coronavirus Coronavirus-2 COVID-19 COVID-19 convalescent sera enhancement expressed expressing FcR Human human coronavirus 229E human coronaviruses human monocyte-derived macrophage human monocyte-derived macrophages immunopathological induce infect Infection Inflammatory cytokine Inflammatory responses innate immune response involved macrophages MERS Middle East protease PROTECT receptor receptors SARS-CoV SARS-CoV-2 SARS-COV-2 infection serine 2 serum Spread Support syndrome These cells transmembrane vaccination virus replication with COVID-19 [DOI] 10.3389/fcimb.2021.644574 PMC 바로가기 [Article Type] Cellular and Infection Microbiology
Effects of SARS-CoV-2 mutations on protein structures and intraviral protein-protein interactionsSARS-CoV-2 돌연변이가 단백질 구조 및 바이러스 내 단백질-단백질 상호작용에 미치는 영향Article Published on 2021-04-012022-09-11 Journal: Journal of medical virology [Category] SARS, 변종, 치료법, [키워드] acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 addition Affect affected analyzed binding affinity caused changes in Characteristics complexes coronavirus coronavirus disease Coronavirus disease 2019 COVID-19 Diagnosis docking Effect Frame globe Impact in some incidence incidence rate incidence rates Interaction interface investigated involved mutant Mutation nonsynonymous mutation Novel coronavirus nucleocapsid occurred Occurrence ORF3a ORF8 pandemic physiological Protein protein interactions protein sequence protein structure protein-protein interaction Q57H RMSD SARS-CoV-2 SARS-CoV-2 genome SARS-CoV-2 mutation SARS-CoV-2 mutations SARS-CoV-2 transmission severe acute respiratory syndrome Coronavirus Spread Structure structures the binding affinity the SARS-CoV-2 genome Treatment variance Viral protein virus genome [DOI] 10.1002/jmv.26597 PMC 바로가기 [Article Type] Article