Decoding the effects of spike receptor binding domain mutations on antibody escape abilities of omicron variantsArticle Published on 2022-10-302022-11-15 Journal: Biochemical and Biophysical Research Communication [Category] COVID19(2023년), SARS, 변종, 진단, [키워드] affinities antibodies antibody Antibody binding antibody escape appear approach approved binding affinity binding free energy cause Coverage COVID19 decrease Effect evaluate globe hotspot immune evasion immunogenic Immunogenic hotspot immunoinformatics K417N monoclonal antibody mutant Mutation mutations omicron Omicron variant Omicron variants Omicron variants. Point mutation RBD mutation RBD-specific antibody recent Receptor binding domain reduce reduction in REGN10987 residue selection pressure significantly single mutation the binding affinity therapeutic vaccination variants [DOI] 10.1016/j.bbrc.2022.08.050 PMC 바로가기
Computational Design and Experimental Validation of ACE2-Derived Peptides as SARS-CoV-2 Receptor Binding Domain InhibitorsArticle Published on 2022-10-202022-11-16 Journal: The journal of physical chemistry. B [Category] COVID19(2023년), SARS, 변종, [키워드] ACE2 ACE2 binding Algorithm Alpha variant bind binding binding affinity candidate caused Concentration concentrations COVID-19 pandemic demonstrated disrupt domain ELISA assays entry of SARS-CoV-2 experiments expressed globe host cells human cells inhibitory initial insoluble Interaction moderate Molecular dynamics simulation molecule peptidase peptide Prevent Protein RBD SARS-CoV-2 SARS-CoV-2 RBD SARS-CoV-2-RBD sequence spike the RBD the SARS-CoV-2 therapeutic These data validation variants virus entry was used Wuhan-Hu-1 α1 helix [DOI] 10.1021/acs.jpcb.2c03918 PMC 바로가기
Arylcoumarin perturbs SARS-CoV-2 pathogenesis by targeting the S-protein/ACE2 interactionArticle Published on 2022-10-112022-11-16 Journal: Scientific Reports [Category] COVID19(2023년), SARS, 변종, [키워드] ACE2 adaptive Analysis antibody binding affinity binding site convalescent coumarin COVID-19 D614G death derivative develop docking drug human Angiotensin-converting enzyme human host in vitro in vivo Infection inhibitor inhibitors Interaction lack molecular molecular docking analysis Mutation N501Y new SARS-CoV-2 NF1 oxygen protein complex protocol rapid increase receptor Reinfection required S-protein SARS-CoV-2 SARS-CoV-2 pathogenesis SARS-CoV-2 spike glycoprotein second wave Spike proteins Treatment vaccinated individuals vaccination variant variants viral genome [DOI] 10.1038/s41598-022-20759-7 PMC 바로가기
Structural insights into the binding of SARS-CoV-2, SARS-CoV, and hCoV-NL63 spike receptor-binding domain to horse ACE2Article Published on 2022-10-062022-11-16 Journal: Structure (London, England : 1993) [Category] COVID19(2023년), SARS, 변종, [키워드] ACE2 acute respiratory syndrome affinity Analysis B.1.617.2 Beta bind binding binding affinity cell entry complex complex structure coronavirus coronavirus Coronaviruses Delta Efficiency equine Equus functional Gamma hACE2 HCoV-NL63 HeLa cells high affinity horse human ACE2 indicated Infection infection assay molecular basis Mutation provide pseudovirus pseudovirus infection RBDs receptor Receptor binding domain receptor binding domain. Receptor-binding domain SARS-CoV SARS-CoV-2 SARS-CoV-2 variant significantly increased spike receptor-binding domain the RBD the SARS-CoV-2 the spike protein Transmission zoonotic [DOI] 10.1016/j.str.2022.07.005 PMC 바로가기
Humoral immunity to SARS-CoV-2 elicited by combination COVID-19 vaccination regimensArticle Published on 2022-10-032022-11-15 Journal: The Journal of Experimental Medicine [Category] COVID19(2023년), SARS, 변종, 진단, [키워드] analysis antibody binding affinity biochemical breadth Cell ChAdOx1 ChAdOx1 vaccine Combination combinations COVID-19 vaccination COVID-19 vaccine effort elicited epitope exhibited Immunity intervals magnitude maturation memory B memory B cell monoclonal antibody mRNA Neutralizing neutralizing antibody regimen regimens response resulting SARS-CoV-2 SARS-CoV-2 pandemic significant difference specificity vaccination Vaccine viral variant while Wuhan-Hu-1 [DOI] 10.1084/jem.20220826 PMC 바로가기
Strain wars 4 – Darwinian evolution through Gibbs’ glasses: Gibbs energies of binding and growth explain evolution of SARS-CoV-2 from Hu-1 to BA.2Article Published on 2022-10-012023-07-10 Journal: Virology [Category] COVID19(2023년), [키워드] binding affinity Driving force Empirical formula enthalpy Entropy evolution. [DOI] 10.1016/j.virol.2022.08.009 PMC 바로가기
Peimine inhibits variants of SARS-CoV-2 cell entry via blocking the interaction between viral spike protein and ACE2Article Published on 2022-10-012022-11-16 Journal: Journal of food biochemistry [Category] COVID19(2023년), SARS, 변종, [키워드] ACE2 acute respiratory syndrome addition Analysis binding affinity block Calu-3 caused cell entry complementary coronavirus Coronavirus disease 2019 COVID-19 COVID-19 patients docking drug energy transfer evade exhibit Fritillaria functional glycoprotein Hydrogen bond Infection inhibit inhibit SARS-CoV-2 inhibitor Interaction lung cells molecular docking analysis N501Y patients peimine. Protein SARS-CoV-2 SARS-CoV-2 variant SARS-CoV-2 viral infection significantly small molecule suggested suppresse the spike protein treatment for COVID-19 Vaccine variant variant spike variants of concern variants of SARS-CoV-2 viral entry viral infection viral infections viral spike viral spike protein VoC VOCs [DOI] 10.1111/jfbc.14354 PMC 바로가기
Multi-scale mechanism of antiviral drug-alike phytoligands from Ayurveda in managing COVID-19 and associated metabolic comorbidities: insights from network pharmacologyArticle Published on 2022-10-012022-11-15 Journal: Molecular diversity [Category] COVID19(2023년), SARS, 치료제, [키워드] Antiviral antiviral drugs antiviral immunity APCS approach Ayurveda binding affinity cardiovascular complications Comorbidities Comorbidity COVID-19 creating develop Diabetes Mellitus disorders effective highlighting Host hypertension immunomodulators investigated mechanism molecular docking network network pharmacology novel coronavirus disease Protein target public health regulate Regulatory SARS-CoV-2 SARS-CoV-2 proteins SARS-CoV-2. synergistic therapy Traditional virus Wuhan, China [DOI] 10.1007/s11030-021-10352-x PMC 바로가기
Pharmacophore screening to identify natural origin compounds to target RNA-dependent RNA polymerase (RdRp) of SARS-CoV2Article Published on 2022-10-012022-11-15 Journal: Molecular diversity [Category] COVID19(2023년), SARS, 치료제, [키워드] 3CLpro Antiviral Antiviral compound binding binding affinity binding energy calculated catalytic Characteristics complex Compound Corona COVID-19 COVID19 database determine docked docking drug examined explicit solvent group HCQ Hydroxychloroquine identify inhibitor initial Interaction investigated medium molecular pharmacophore Pharmacophore screening physiological Poisson produced protease Protein RdRP RdRp protein residue RNA-dependent RNA polymerase SARS-CoV2 SARS-CoV2 inhibitor. screened Spike protein therapeutic therapy trajectory treat treated [DOI] 10.1007/s11030-021-10358-5 PMC 바로가기
Omicron (BA.1) and sub-variants (BA.1.1, BA.2, and BA.3) of SARS-CoV-2 spike infectivity and pathogenicity: A comparative sequence and structural-based computational assessmentSARS-CoV-2 스파이크 감염성 및 병원성의 오미크론(BA.1) 및 하위 변이체(BA.1.1, BA.2 및 BA.3): 비교 시퀀스 및 구조 기반 계산 평가Article Published on 2022-10-012022-09-11 Journal: Journal of medical virology [Category] COVID19(2023년), SARS, 변종, [키워드] ACE2 binding acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 Analysis angiotensin BA.1 BA.2 BA.3 BA1.1 bind binding affinity bronchial cells computational tool computational tools contribute contributing to coronavirus COVID-19 Deleterious domain Effectiveness electrostatic expressed Factor hACE2 higher affinity human ACE2 human Angiotensin-converting enzyme Human angiotensin-converting enzyme 2 hydrogen hydrogen bonds indicate Interaction K417N less lineages Lower respiratory tract lung mutated Mutation mutations N-terminal domain N501Y negative NTD omicron Omicron variant pathogenicity positive predicted Q498 RBD RBM receptor receptors residue residues Salt Bridge SARS-CoV-2 SARS-CoV-2 spike SARS-CoV-2. sequence severe acute respiratory syndrome Coronavirus significantly Spike protein Spread surface potential T478K the RBD the spike protein thought Transmission transmission potential variant variants wild-type [DOI] 10.1002/jmv.27927 PMC 바로가기 [Article Type] Article