Modeling studies on the role of vitamins B1 (thiamin), B3 (nicotinamide), B6 (pyridoxamine), and caffeine as potential leads for the drug design against COVID-19Article Published on 2022-11-072022-11-15 Journal: Journal of molecular modeling [Category] SARS, 신약개발, 치료제, [키워드] ACE-2 adopted Antiviral antiviral activity applied approach binding pocket binding site caffeine Cell Characteristics chemical property Compound COVID-19 COVID-19 pandemic docking domain dosage drug design effective evaluate function impair Interaction Invasion lack mechanism modeling molecular molecular dynamic simulations Neutral nicotinamide potential mechanism Protein pyridoxamine Safe SARS-CoV-2 selected Side effects Structural analysis Structure the SARS-CoV-2 the Spike thiamin Toxicity Vitamin Vitamin B. [DOI] 10.1007/s00894-022-05356-9 PMC 바로가기
An update on inhibitors targeting RNA-dependent RNA polymerase for COVID-19 treatment: Promises and challengesArticle Published on 2022-11-012022-11-15 Journal: Biochemical pharmacology [Category] COVID19(2023년), SARS, 변종, 치료제, [키워드] addition Antiviral antiviral drug causative pathogen complex Coronaviruses COVID-19 COVID-19 pandemic effective Effectiveness enzyme highest human cell identification Infection inhibitor inhibitors Interaction promise RdRP Replication Research RNA-dependent RNA polymerase SARS-CoV-2 SARS-CoV-2. Structural analysis therapeutic drug transmissible variant Viral RNA [DOI] 10.1016/j.bcp.2022.115279 PMC 바로가기
Elucidation of the inhibitory activity of ivermectin with host nuclear importin α and several SARS-CoV-2 targetsArticle Published on 2022-11-012022-11-15 Journal: Journal of biomolecular structure & dynamics [Category] SARS, 치료제, [키워드] 3CL pro 3CLpro acting antiviral activity approach approach binding binding free energy complex COVID-19 dimeric docked complexes docking explained FDA-approved drug FIVE heterodimeric Host in vitro activity inhibit inhibitor inhibitory activity Ivermectin MD simulation molecular molecular docking Molecular dynamics simulation molecular dynamics simulation. molecular mechanism nuclear previous study protease Proteins reached Replication responsible SARS-CoV-2 SARS-CoV-2 replication shown Structural analysis structural property target translocation variety virus with COVID-19 [DOI] 10.1080/07391102.2021.1911857 PMC 바로가기
Mutational dynamics across VOCs in International travellers and Community transmission underscores importance of Spike-ACE2 interaction국제 여행자의 VOC와 지역 사회 전파에 걸친 돌연변이 역학은 Spike-ACE2 상호 작용의 중요성을 강조합니다.Article Published on 2022-09-012022-09-11 Journal: Microbiological research [Category] COVID19(2023년), SARS, 변종, [키워드] A570D Alpha analysed B.1.617.2 binding binding affinity change Community community transmission comparable COVID-19 case COVID-19 pandemic D1118H D950N Delta demonstrated different time point different time points disequilibrium early phase emergence Evolution functional G142D Genomic surveillance India Interaction International investigated L452R Lineage linkage Linkage disequilibrium Mutation mutation analysis mutations N501Y notable omicron ORF1 ORF1ab overlap predict raised S982A SARS-CoV-2 selective spike spike mutations spike-ACE2 Spread Structural analysis Transmissibility Transmission transmission pattern unique vaccination variants variants of concern. VoC VOCs [DOI] 10.1016/j.micres.2022.127099 PMC 바로가기 [Article Type] Article
A humanized nanobody phage display library yields potent binders of SARS CoV-2 spike인간화된 나노바디 파지 디스플레이 라이브러리는 SARS CoV-2 스파이크의 강력한 결합제를 생성합니다Article Published on 2022-08-102022-09-11 Journal: PLoS ONE [Category] SARS, 변종, 진단, [키워드] (alpha affinity antibody antibody treatment B.1.1.7 binding modes complex effective Ex vivo humanized mitigate molecular dynamics Molecular dynamics simulation molecular dynamics simulations N501Y N501Y mutation nanobodies nanobody neutralization Neutralizing Neutralizing antibodies primary human airway RBD RBD mutation reducing SARS CoV-2 SARS-CoV-2 SARS-CoV-2 infections SARS-CoV-2 spike protein SARS-CoV-2 variants shown Spike protein Structural analysis the SARS-CoV-2 variant Viral viral burden WA1 [DOI] 10.1371/journal.pone.0272364 PMC 바로가기 [Article Type] Article
Understanding the mutational frequency in SARS-CoV-2 proteome using structural features구조적 특징을 이용한 SARS-CoV-2 프로테옴의 돌연변이 빈도 이해Article Published on 2022-08-012022-09-11 Journal: Computers in biology and medicine [Category] COVID19(2023년), SARS, 변종, 치료기술, [키워드] Accuracy acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 Analysis Cluster collected computational approach coronavirus COVID-19 develop Early detection feature Features Frequency human population machine machine learning machine learning model machine learning models mutability mutated Mutation mutations pandemic physicochemical predict Protein Protein mutability proteome provided reduced residue SARS-CoV-2 SARS-CoV-2 proteins SARS-CoV-2 proteome SARS-CoV-2 sequence SARS-CoV-2 sequences SARS-CoV-2. Sequence conservation severe acute respiratory syndrome Coronavirus severity stability Structural analysis survival the SARS-CoV-2 threshold Transmission understanding unique variants variants of concern viral isolate viral isolates Viral protein viral strains virus virus [DOI] 10.1016/j.compbiomed.2022.105708 PMC 바로가기 [Article Type] Article
Culture and identification of a “Deltamicron” SARS-CoV-2 in a three cases cluster in southern France프랑스 남부의 3개 사례 클러스터에서 "델타마이크론" SARS-CoV-2의 배양 및 식별Article Published on 2022-08-012022-09-11 Journal: Journal of medical virology [Category] COVID19(2023년), SARS, 변종, 치료기술, [키워드] backbone binding Chain Reaction clinical feature Cluster Co-infection codon Codons composed Coronaviruses Delta deltamicron Diagnosis electron microscopy Epidemic epidemiological France full-length Genetic Genome host cell host cell membrane Infection isolate Lineage lineages Microscopy Multiple Mutation nucleotide omicron polymerase chain polymerase chain reaction qPCR Quantitative quantitative polymerase chain reaction recombinant reported SARS-CoV-2 SARS-CoV-2 variant scanning electron microscopy sequenced sequencing depth spike gene Spread Structural analysis suggested summer supported variant Variant. Virological [DOI] 10.1002/jmv.27789 PMC 바로가기 [Article Type] Article
Viral immunogenic footprints conferring T cell cross-protection to SARS-CoV-2 and its variantsSARS-CoV-2 및 그 변이체에 T 세포 교차 보호를 부여하는 바이러스 면역원성 발자국Article Published on 2022-07-282022-09-11 Journal: Frontiers in Immunology [Category] COVID19(2023년), SARS, 변종, [키워드] 229E 3D structure 3D Structures approach Asymptomatic case Asymptomatic cases CD8+ T cell cellular cellular response concern conserved contributing to Coronaviruses COVID-19 cross-protection cross-reactivity death disease Endemic epitope Epitopes examination expected explain explanation Features Genetic Heterologous HLA-A HLA-A*02:01 human coronaviruses human coronaviruses 229E human infection Immunity immuno informatics immunogenic immunogenic feature immunogenicity include indicate individual individuals infected individuals Infection involved molecular OC43 other coronaviruses outcomes pathogen Pathogens peptide peptides physicochemical Population SARS-CoV SARS-CoV-2 SARS-CoV-2 peptides SARS-CoV-2 sequence sequence Sequence analysis severe disease Structural analysis structural analysis. Structure T cell T-cell T-cell epitopes target Trigger uninfected Vaccine development variant variants virus viruses Wuhan [DOI] 10.3389/fimmu.2022.931372 PMC 바로가기 [Article Type] Article
Molecular modelling identification of phytocompounds from selected African botanicals as promising therapeutics against druggable human host cell targets of SARS-CoV-2SARS-CoV-2의 약물 가능한 인간 숙주 세포 표적에 대한 유망한 치료제로서 선택된 아프리카 식물의 식물 화합물의 분자 모델링 식별Article Published on 2022-07-012022-09-11 Journal: Journal of molecular graphics & modelling [Category] COVID19(2023년), SARS, 치료제, [키워드] active site acute respiratory syndrome coronavirus African Amino acid amino acid residue angiotensin Angiotensin converting enzyme-2 bafilomycin binding binding energy candidate drug cathepsin cathepsin L caused Cell clinical evaluation clinical evaluations Compound compounds Computational methods coronavirus 2 coronavirus disease Coronavirus disease 2019 COVID-19 Critical enzyme galactoside hACE2 highly pathogenic host cell Host cell targets human cell human cells human host in vitro inhibitor inhibitors of TMPRSS2 inhibitory inhibitory action investigated kaempferol mechanism MLN-4760 Modification modifications modulate molecular dynamics Molecular dynamics simulation myricetin nafamostat Phytocompounds Protein Proteins Replication Research respiratory Respiratory disease respiratory diseases rutinoside SARS-CoV-2 SARS-CoV-2. selected Serine severe acute respiratory syndrome Coronavirus severe acute respiratory syndrome coronavirus 2 Structural analysis subjects subsequent target Therapeutic benefit these compound these compounds TMPRSS2 transmembrane serine protease Verbascoside viral entry viral spike protein viral spike proteins while [DOI] 10.1016/j.jmgm.2022.108185 PMC 바로가기 [Article Type] Article
Analysis of a SARS-CoV-2 convalescent cohort identified a common strategy for escape of vaccine-induced anti-RBD antibodies by Beta and Omicron variantsSARS-CoV-2 회복기 코호트 분석에서 베타 및 오미크론 변이체에 의한 백신 유도 항-RBD 항체의 탈출을 위한 공통 전략 확인Article Published on 2022-06-012022-09-11 Journal: EBioMedicine [Category] COVID19(2023년), MERS, SARS, 변종, 진단, [키워드] Ad26 Ad26.COV2.S allergy Alpha Analysis anti-RBD Anti-RBD antibody anti-spike antibody antibody Antibody binding Antibody Response antibody response against Antibody titer Antibody titers assays Beta blood draw blood draws blood sample BNT162b2 Boston Cohort collected convalescent COV2.S COVID COVID-19 cross-reactive antibodies cross-reactive antibody Delta Donor evade evaluate expected fraction hybrid Hybrid immunity Immune escape immune evasion Immunity increase increase in Infectious disease Infectious diseases initial limitation Massachusett mRNA mRNA-1273 mutant Mutation neutralization Neutralization escape mutations omicron Omicron variant plasma polyclonal polyclonal antibody Post-infection proportion proportions Proteins RBD RBDs Re-infection readiness Receptor binding domain residue residues SARS-CoV-2 SARS-CoV-2 variants spike Spike protein Structural analysis the spike protein vaccination Vaccine induced antibody titers. variant variants variants of concern were excluded were used [DOI] 10.1016/j.ebiom.2022.104025 PMC 바로가기 [Article Type] Article