Targeting virus-host interaction by novel pyrimidine derivative: an in silico approach towards discovery of potential drug against COVID-19새로운 피리 미딘 유도체에 의한 바이러스-호스트 상호 작용 표적 : Covid-19에 대한 잠재적 약물의 발견을 향한 실리코 접근법Article Published on 2021-09-012022-08-31 Journal: Journal of biomolecular structure & dynamics [Category] SARS, 치료제, [키워드] abundantly expressed acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 analogue angiotensin angiotensin-converting enzyme-2 appear applied bind binding binding free energy binding free energy calculation binding site Cell cell surface receptor cell tropism characterized complex condition coronavirus coronavirus disease coronavirus disease-2019 COVID-19 derivative disrupt drug candidate drug target effective inhibitor free energy globe group hACE2 host cell host cells human Angiotensin-converting enzyme human population identify in silico Approach in vitro in vivo Infection inhibitor Interaction interface internalization lung tissues molecular molecular docking molecular dynamics molecules Pathogenesis phenol primary determinant pyrimidine pyrimidine derivatives receptor respiratory SARS-CoV-2 severe acute respiratory syndrome Coronavirus spike glycoprotein Spread surface receptor targeting therapeutic virion virus virus entry [DOI] 10.1080/07391102.2020.1794969 PMC 바로가기 [Article Type] Article
Comparative transcriptomic analysis of SARS-CoV-2 infected cell model systems reveals differential innate immune responsesArticle Published on 2021-08-252022-10-29 Journal: Scientific Reports [Category] COVID-19, SARS, [키워드] activated Cell Cell Biology cell lines Comparative Computational biology and bioinformatics COVID-19 disease Critical disease status Diseases Endoplasmic reticulum Express expression level hACE2 HEK293T cell Host Host immune response human Angiotensin-converting enzyme immune attack immune response immune responses immunology infected cell Infection Infection route innate immune response mechanism Microbiology model system Molecular biology overexpress Pathogenesis pathway progression Protein provided reflect reveal robust SARS-CoV-2 SARS-COV-2 infection SARS-CoV-2-infected cell severity of COVID-19 Stress Systems biology Transcriptome transcriptomic analysis triggering Viral load virus [DOI] 10.1038/s41598-021-96462-w PMC 바로가기 [Article Type] Article
Possible Link between Higher Transmissibility of Alpha, Kappa and Delta Variants of SARS-CoV-2 and Increased Structural Stability of Its Spike Protein and hACE2 AffinitySARS-CoV-2의 알파, 카파 및 델타 변이체의 더 높은 투과율과 스파이크 단백질 및 hACE2 친화도의 구조적 안정성 증가 사이의 가능한 연결Article Published on 2021-08-242022-09-10 Journal: International Journal of Molecular Sciences [Category] MERS, SARS, 변종, 유전자 메커니즘, 진단, [키워드] (Alpha) acute respiratory syndrome coronavirus affinity Alpha Alpha variant B.1.1.7 B.1.617.1 B.1.617.2 binding affinity binding energy caused complexes coronavirus coronavirus 2 COVID-19 Delta Delta variants E484Q false negativity global pandemic globe hACE2 hydrogen Immune escape increase in Increased Infection Interaction interactions L452R Lineage molecular molecular dynamic simulations molecular mechanism mutant mutants Mutation mutation rate N501Y N501Y mutation Neutralizing antibodies neutralizing antibody outbreak PCR tests performed Perspective provide rationale Receptor binding Receptor binding domain Reinfection respiratory RT-PCR tests SARS-CoV-2 severe acute respiratory syndrome Coronavirus severe acute respiratory syndrome coronavirus 2 significant increase spike Spike protein spike variants stability T478K T478K and L452R mutation the spike protein transmissivity variants virus wild-type SARS-CoV-2 wildtype [DOI] 10.3390/ijms22179131 PMC 바로가기 [Article Type] Article
Small Structural Proteins E and M Render the SARS-CoV-2 Pseudovirus More Infectious and Reveal the Phenotype of Natural Viral Variants작은 구조 단백질 E와 M은 SARS-CoV-2 슈도바이러스를 더 전염성이 있게 만들고 천연 바이러스 변이체의 표현형을 드러냅니다Article Published on 2021-08-232022-09-10 Journal: International Journal of Molecular Sciences [Category] MERS, SARS, 변종, 유전자 메커니즘, 진단, [키워드] angiotensin antigenic biological function Cell convalescent sera dissemination dominant E and M proteins evaluate examined expressing hACE2 higher infectivity human Angiotensin-converting enzyme mechanism membrane molecular natural Neutralizing packaged plasma priming Protein provide pseudotype virus pseudovirus pseudoviruses receptor reported S protein SARS-CoV-2 SARS-CoV-2 pseudovirus SARS-CoV-2 S SARS-CoV-2 variants SEM spike structural protein the S protein the SARS-CoV-2 variant variants Viral viral infectivity Viral RNA virion virion infectivity virus viruses [DOI] 10.3390/ijms22169087 PMC 바로가기 [Article Type] Article
An Analysis Based on Molecular Docking and Molecular Dynamics Simulation Study of Bromelain as Anti-SARS-CoV-2 VariantsPharmacology Published on 2021-08-202022-10-31 Journal: Frontiers in Pharmacology [Category] COVID-19, [키워드] antiviral activity antiviral property approaches approved bind binding binding affinity binding site Bromelain changes in complex complexes COVID-19 destabilized Dynamics enzyme exhibited hACE2 human Angiotensin-converting enzyme in vitro in vivo increases in indicated inhibitor inhibitory effect Interaction molecular molecular docking Molecular dynamics simulation Mutation mutations new SARS-CoV-2 new virus Novel coronavirus potential mechanism Potential treatment Prevent Protein RBD RBD protein RBD proteins RBD variant Receptor-binding domain remained required Research resulting RMSD SARS-CoV-2 SARS-CoV-2 variants shown Simulation Spread stability the receptor-binding domain the SARS-CoV-2 treat Treatment variant variants viral spike protein virus while [DOI] 10.3389/fphar.2021.717757 PMC 바로가기 [Article Type] Pharmacology
Molecular Dynamics Simulation Study of the Interaction between Human Angiotensin Converting Enzyme 2 and Spike Protein Receptor Binding Domain of the SARS-CoV-2 B.1.617 VariantArticle Published on 2021-08-202022-10-28 Journal: Biomolecules [Category] COVID-19, [키워드] angiotensin B.1.617 B.1.617 variant binding caused change conformational change conserved COVID-19 pandemic delta variant disrupt Dynamics E484Q electrostatic ENhance favor hACE2 help Host Human human Angiotensin-converting enzyme Immune escape intramolecular interaction introduced L452R Lineage molecular dynamics Molecular dynamics simulation mutant Mutation Neutralizing antibodies performed Prevent Protein Proteins RBD Receptor binding domain S protein Salt Bridge SARS-CoV-2 Simulation spike Spike protein stability Structure the RBD the S protein the SARS-CoV-2 the SARS-CoV-2 virus Variation viral S protein wild type [DOI] 10.3390/biom11081244 PMC 바로가기 [Article Type] Article
Protective Effects of Astodrimer Sodium 1% Nasal Spray Formulation against SARS-CoV-2 Nasal Challenge in K18-hACE2 MiceK18-HACE2 마우스에서 SARS-COV-2 코 챌린지에 대한 아스 토드리머 나트륨 1% 코 스프레이 제제의 보호 효과Article Published on 2021-08-202022-08-31 Journal: Viruses [Category] MERS, SARS, 치료기술, 치료제, [키워드] administration animal animal model animals anti-SARS-CoV-2 Antiviral astodrimer blocked Brain challenge chemokine COVID-19 Cytokines Day dendrimer detectable Effect Efficacy Formulation hACE2 IL-1 IL-1α IL-1β IL-6 Incubation infected intranasally Infection Infectious virus intranasally K18-hACE2 K18-hACE2 mice lack liver lung MCP-1 nasal Nasal cavity Nasal spray neutralisation pathogen PBS Post-infection pro-inflammatory cytokine pro-inflammatory cytokines product PROTECT reduced reducing reduction reduction in SARS-CoV-2 SARS-COV-2 infection SARS-CoV-2 replication secretion serum severity of COVID-19 significantly sodium SPL7013 spray Strategy TGFβ These data TNFα Trachea treated Treatment undetectable Viraemia Viral viral genome viral replication viral shedding virus virus replication virus transmission was used were infected [DOI] 10.3390/v13081656 PMC 바로가기 [Article Type] Article
A selective sweep in the Spike gene has driven SARS-CoV-2 human adaptationSpike 유전자의 선택적 스윕은 SARS-CoV-2 인간 적응을 주도했습니다Article Published on 2021-08-192022-09-11 Journal: Cell [Category] Coronavirus, SARS, 변종, [키워드] acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 adaptive assays bat bats binding cellular receptor contributed coronavirus coronavirus disease Coronavirus disease 2019 COVID-19 D614G D614G mutation domain emergence Evolution Genome glycosylation greater hACE2 higher affinity hosts human ACE2 human lung cell human lung cells human SARS-CoV-2 human-to-human transmission molecular molecular virology mutant Mutation Non-synonymous pandemic pangolins Positive selection predicted RBD related virus Replication reservoir SARS-CoV-2 selective selective sweep sequence severe acute respiratory syndrome Coronavirus Spike protein spillover sustained the Spike the spike protein Transmission variant viral adaptation wild-type [DOI] 10.1016/j.cell.2021.07.007 PMC 바로가기 [Article Type] Article
A broadly neutralizing humanized ACE2-targeting antibody against SARS-CoV-2 variantsSARS-CoV-2 변이체에 대한 광범위 중화 인간화 ACE2 표적 항체Article Published on 2021-08-172022-09-10 Journal: Nature Communications [Category] MERS, SARS, 변종, 진단, 치료제, [키워드] ACE2 complexes acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 Administered against SARS-CoV alleviate angiotensin Angiotensin-converting enzyme angiotensin-converting enzyme 2 angiotensin-converting enzyme-2 antibody Antibody therapy blocking antibody blood pressure circulating complexes coronavirus coronavirus disease Coronavirus disease 2019 COVID-19 domain dosage effective therapy epitope event exhibit hACE2 hindrance humanized in vitro Infection inhibitory activity injection Injections Intervention Isolation limit Lineage lineages monoclonal antibody morbidity morbidity and mortality Neutralizing pandemic Prevent prophylactically RBD receptor Receptor-binding domain respiratory risk SARS-CoV-2 SARS-CoV-2 lineage SARS-CoV-2 replication SARS-CoV-2 variant SARS-related coronavirus SARS-related coronaviruses SARSr-CoVs significant changes in Spread Structure structures therapeutic Transmission variants [DOI] 10.1038/s41467-021-25331-x PMC 바로가기 [Article Type] Article
SARS-CoV-2 Spike Pseudoviruses: A Useful Tool to Study Virus Entry and Address Emerging Neutralization Escape PhenotypesArticle Published on 2021-08-162022-10-29 Journal: Microorganisms [Category] COVID-19, [키워드] address angiotensin-converting enzyme-2 antibody B.1.1.7 B.1.351 BSL-2 candidate vaccine Cell clinical trial convalescent COVID-19 develop disease effective escape expressing Genetic variant globe hACE2 help Lentiviral vector less MLV vector monoclonal antibody neutralization neutralization ability Neutralization assay Neutralizing antibodies NIBSC PBNA Phenotypes Prophylactic pseudovirus R 2 raising reagent recent receptor Research SARS-CoV-2 SARS-CoV-2 neutralizing antibody SARS-CoV-2 spike SARS-CoV-2 variants sensitivity sera severity South Africa spike susceptible time-consuming Transmissibility United Kingdom unmet need variants variants of concern virus VoC VOCs [DOI] 10.3390/microorganisms9081744 PMC 바로가기 [Article Type] Article