Allosteric Determinants of the SARS-CoV-2 Spike Protein Binding with Nanobodies: Examining Mechanisms of Mutational Escape and Sensitivity of the Omicron VariantArticle Published on 2022-02-162022-10-29 Journal: International Journal of Molecular Sciences [Category] COVID-19, COVID19(2023년), SARS, [키워드] ACE2 host receptor ACE2-binding site allosteric interactions Alter Analysis binding binding affinity binding epitope binding free energy biochemical Combination complex complexes computational analysis dependent on determinant detrimental escape escape mutant examined Examining functional generate hotspot induce less mechanism modulation molecular dynamics Molecular simulation Mutation mutational sensitivity nanobodies nanobody network analysis neutralization neutralizing capacity omicron performed Perturbation plasticity Regulatory residues Resilience SARS-CoV-2 spike protein signal transmission spike Spike protein spike trimer supported the SARS-CoV-2 the SARS-CoV-2 virus variant [DOI] 10.3390/ijms23042172 PMC 바로가기 [Article Type] Article
Comparison of SARS-CoV-2 Evolution in Paediatric Primary Airway Epithelial Cell Cultures Compared with Vero-Derived Cell LinesArticle Published on 2022-02-052022-10-28 Journal: Viruses [Category] COVID-19, COVID19(2023년), SARS, [키워드] Adults age airway arising Cell Cell culture cell lines cells changes in children cleavage site co-morbidities Cohort Culture Delta dependent on driving epithelial Evidence Evolution Factor fixation Genetic genetic diversity genotypic growth highlight Host host cell factor host cells human respiratory epithelium in vitro infect isolate isolates LINE morbidity and mortality Mutation nasal passages phenotypic plasticity polybasic primary airway epithelial cells reduced remained respiratory epithelial cells resulting SARS-CoV-2 SARS-CoV-2 evolution several variant spike Strains variant Vero Vero cells viral evolution Virus evolution VoC whole-genome sequencing [DOI] 10.3390/v14020325 PMC 바로가기 [Article Type] Article
Binding of raloxifene to human complement fragment 5a ( h C5a): a perspective on cytokine storm and COVID19Article Published on 2022-02-012022-10-04 Journal: Journal of biomolecular structure & dynamics [Category] COVID19(2023년), SARS, 신약개발, [키워드] approach binding binding affinity C5a C5aR Carprofen Circular dichroism combination therapy complement conformational COVID19 cytokine Cytokine storm Diseases downstream expressed FDA-approved drugs glycoprotein Human Infection Inflammatory diseases inherent management molecular molecular dynamics Neutralizing Pathogenesis Perspective plasticity pleiotropic Polypharmacology precursor pro-inflammatory raloxifene. receptor Stress Support synergistic targets tissues triggering undergo [DOI] 10.1080/07391102.2020.1820381 PMC 바로가기 [Article Type] Article
Conformational Flexibility and Local Frustration in the Functional States of the SARS-CoV-2 Spike B.1.1.7 and B.1.351 Variants: Mutation-Induced Allosteric Modulation Mechanism of Functional Dynamics and Protein StabilitySARS-CoV-2 스파이크 B.1.1.7 및 B.1.351 변이체의 기능 상태에서 구조적 유연성 및 국부적 좌절: 기능 역학 및 단백질 안정성의 돌연변이 유발 알로스테릭 조절 메커니즘Article Published on 2022-01-312022-09-10 Journal: International Journal of Molecular Sciences [Category] SARS, 변종, 유전자 메커니즘, 진단, [키워드] ACE2 host receptor allosteric interactions allosteric regulation Analysis B.1.1.7 B.1.351 B.1.351 variant B.1.351 variants binding characterized conformational conformational change conformational dynamics conformational state D614G driver Dynamics Effect flexibility forms Frustration functional greater host cell host cell receptor hotspot identify inter-protomer interface intrinsic local frustration mechanism modulation molecular Molecular simulation molecular simulations mutant Mutation mutational scanning mutational variants open plasticity Protein protein stability receptor Region regulate Regulation required residue SARS-CoV-2 B.1.1.7 SARS-CoV-2 spike protein SARS-CoV-2 spike proteins spike Spike protein Spike proteins spike variant spike variants stability state suggested the SARS-CoV-2 the spike protein Trajectories trajectory Transmissibility variant virus infectivity [DOI] 10.3390/ijms23031646 PMC 바로가기 [Article Type] Article
Tissue-level alveolar epithelium model for recapitulating SARS-CoV-2 infection and cellular plasticitySARS-CoV-2 감염 및 세포 가소성을 요약하기 위한 조직 수준 폐포 상피 모델Article Published on 2022-01-192022-09-12 Journal: Communications Biology [Category] SARS, 진단, 치료제, [키워드] Activation alveolar alveolar cell alveolar epithelial cells alveolar epithelium Cell cells cellular clinically COVID-19 Culture cytokine production damaged exhibit feature IMPROVE Infection Injury mechanism media Pathogenesis plasticity Pneumonia Prevent primary cell pulmonary pulmonary fibrosis Research Respiratory system models SARS-COV-2 infection SARS-CoV-2 pseudovirus subsequent translational viral entry viral infection Wnt signaling [DOI] 10.1038/s42003-022-03026-3 PMC 바로가기 [Article Type] Article
Dynamic genome plasticity during unisexual reproduction in the human fungal pathogen Cryptococcus deneoformans인간 곰팡이 병원체 암호화 코커스 데네 노모 인에서의 단성 재생산 동안의 동적 게놈 소성Research Article Published on 2021-11-292022-09-06 Journal: PLoS Genetics [Category] Communicable Disease, [키워드] adaptation addition Aneuploidy azole Cancer Cell cell cycle cell-cell fusion cells characterization characterized chromosome chromosomes concert conditions contributed copy number Critical Cryptococcus Cryptococcus neoforman Cryptococcus neoformans cyclin cyclins defect detect differentially expressed diploid duplication dynamic early phase eukaryotic events Evidence evidence of Evolution example form fungal fungi generate genes encoding Genetic Genome hallmark haploid Host host infection Implications in some increase independent instance intrinsic isolates kinase kinases lead maintain maintenance mechanism meiosis meiotic mitotic molecular mechanism molecular mechanisms nourseothricin nuclear nuclear fusion occur organism Organisms pathogen pathway plasticity ploidy polyploid public health Regulatory reporter serotype sexual development survival uracil VAR Variation [DOI] 10.1371/journal.pgen.1009935 PMC 바로가기 [Article Type] Research Article
SARS-CoV-2 evolution in animals suggests mechanisms for rapid variant selection동물에서의 SARS-CoV-2 진화는 신속한 변이체 선택을 위한 메커니즘을 제안합니다423 Published on 2021-10-292022-09-10 Journal: Proceedings of the National Academy of Sciences of [Category] MERS, SARS, 변종, 유전자 메커니즘, 진단, 치료기술, 치료법, [키워드] accelerate accumulating amplified animal Animal host animal hosts animal model animals arising cats Cell culture change changes in companion animals Contact contact with COVID-19 patients Cross-species transmission deer dominant variant Evolution ferret ferrets fixation Frequency functional Genes Genome hamster hamsters highlight Host host adaptation hosts Households Human human-to-animal transmission humans in vitro in vivo Infection inoculation Lineage Live virus mammalian mechanism mink molecular nonsynonymous nucleocapsid observation ORF8 patients phenotype plasticity Reinfection repeated residue residues reveal SARS-CoV-2 SARS-CoV-2 evolution SARS-CoV-2 variant SARS-CoV-2 variants sequence sequenced Significance species spillover stock Substitution substitutions switching Transmission USA-WA1/2020 variant Vero Vero Cell Viral viral evolution viral lineages viral variant Viral variants virus viruses widespread wild animal wild animals wild-type with COVID-19 [DOI] 10.1073/pnas.2105253118 PMC 바로가기 [Article Type] 423
The CovR regulatory network drives the evolution of Group B Streptococcus virulenceCOVR 규제 네트워크는 그룹 B Streptococcus 독성의 진화를 주도합니다.Research Article Published on 2021-09-072022-09-06 Journal: PLoS Genetics [Category] Communicable Disease, [키워드] Activation adhesin adhesins Adults Analysis architecture Bacterial binding characterized clinical isolates clone commensal bacterium Comparative Comparative analysis complex cross endothelial epithelial Evolution expression Factor functional Genes Genome group healthy heterogeneity Host impair infections Interaction intestinal invasive isolate Lineage loci majority master regulator Meningitis Mutation Neonatal neonatal meningitis occur opportunistic pathogen pan-genome pathogen Pathologies phenotypic Phosphorylation plasticity promoters Regulation Regulatory regulatory network responsible Signaling signaling pathway specific diseases Streptococcus Streptococcus agalactiae suggested surface protein surface proteins Transcriptome type strain Variability virulence virulence factors virulence gene virulence genes wild type wild type strain [DOI] 10.1371/journal.pgen.1009761 PMC 바로가기 [Article Type] Research Article
Discovery of SARS-CoV-2 M pro peptide inhibitors from modelling substrate and ligand binding †Chemistry Published on 2021-09-062022-10-31 Journal: Chemical Science [Category] COVID-19, [키워드] analysed Analysis automated bind binding building cleavage site cleavage sites COVID Critical docked docking drug design drug target drugs effective highlight inhibit inhibitor inhibitors initial Interaction Ligand ligands M pro maturation molecular molecular feature N-terminal peptide Peptide inhibitor Peptide Inhibitors peptides plasticity Predictive protease QM/MM SARS-CoV-2 substrates Variation [DOI] 10.1039/d1sc03628a PMC 바로가기 [Article Type] Chemistry
β-Carboline alkaloids induce structural plasticity and inhibition of SARS-CoV-2 nsp3 macrodomain more potently than remdesivir metabolite GS-441524: computational approachArticle Published on 2021-08-302022-10-29 Journal: Turkish Journal of Biology [Category] COVID-19, [키워드] β-carboline ADP-ribose ADP-ribosylation analogue anti-SARS-CoV-2 approach binding affinity binding free energy bioinformatics candidate computational approach coronavirus creating database demonstrated docking docking score drug design Glide GS-441524 Host immune response implicated indicated induce Infection Ligand ligands low expression macrodomain macromolecule metabolite modulated Molecular dynamics simulation Nsp3 nsp3 macrodomain parameter Pathogenesis plasticity predicted receptor Remdesivir reported SARS-CoV-2 screened selected small molecule stability the SARS-CoV-2 Toxicity viral replication [DOI] 10.3906/biy-2106-64 PMC 바로가기 [Article Type] Article