Strain wars 2: Binding constants, enthalpies, entropies, Gibbs energies and rates of binding of SARS-CoV-2 variants스트레인 워즈 2: 결합 상수, 엔탈피, 엔트로피, 깁스 에너지 및 SARS-CoV-2 변이체의 결합 속도Article Published on 2022-05-012022-09-11 Journal: Virology [Category] COVID19(2023년), SARS, 변종, [키워드] Alpha strain B.1.1.529 Beta Beta strain binding binding constant calculated changes in characterized competition COVID-19 pandemic Delta Delta strain explained Gamma Gamma strain greater Hu-1 strain Interference kinetic Mutant strains mutate mutated Mutation mutations omicron Omicron strain. phenomenon RNA viruses SARS-CoV-2 SARS-CoV-2 strain SARS-CoV-2 variant SARS-CoV-2 virus shown Standard strain Strains suppression the SARS-CoV-2 virus thermodynamic virus wild type [DOI] 10.1016/j.virol.2022.03.008 PMC 바로가기 [Article Type] Article
Thermodynamically coupled biosensors for detecting neutralizing antibodies against SARS-CoV-2 variantsArticle Published on 2022-04-282022-10-05 Journal: Nature biotechnology [Category] COVID19(2023년), SARS, 변종, 진단, 치료기술, 치료제, [키워드] ACE-2 acute respiratory syndrome angiotensin-converting enzyme 2 approach assays binding binding affinity coronavirus detect domain Modification neutralization neutralizing antibody Protein RBD SARS-CoV-2 SARS-CoV-2 variant serum thermodynamic variant virus [DOI] 10.1038/s41587-022-01280-8 [Article Type] Article
Insights into the specificity for the interaction of the promiscuous SARS-CoV-2 nucleocapsid protein N-terminal domain with deoxyribonucleic acids난잡한 SARS-CoV-2 뉴클레오캡시드 단백질 N-말단 도메인과 데옥시리보핵산의 상호작용에 대한 특이성에 대한 통찰력Article Published on 2022-04-012022-09-11 Journal: International journal of biological macromolecules [Category] COVID19(2023년), SARS, 치료법, [키워드] activity approximation binding Binding specificity cleft dissect DNA DNA binding DNA/RNA binding protein double-stranded feature inhibitors insight Interaction Local motif multifunctional N-terminal domain non-specific nucleic acid nucleocapsid parameter preference Protein RNA RNA binding protein SARS-CoV-2 nucleocapsid SARS-CoV-2 nucleocapsid protein sequence specificity starting point suggested the N protein therapeutic target thermodynamic thymidine Transcription transcriptional regulatory sequence transcriptional regulatory sequences TRS virus infectivity β-sheet [DOI] 10.1016/j.ijbiomac.2022.01.121 PMC 바로가기 [Article Type] Article
Heparin interacts with the main protease of SARS-CoV-2 and inhibits its activity헤파린은 SARS-CoV-2의 주요 프로테아제와 상호작용하여 그 활성을 억제합니다.Article Published on 2022-02-152022-09-11 Journal: Spectrochimica acta. Part A, Molecular and biomole [Category] COVID19(2023년), SARS, 치료제, [키워드] 3CLpro active site activity antiviral drug bind binding Characteristics demonstrated dependent on energy transfer Fluorescence Fluorescence quenching group heparin host cell host cells hydrogen hydrogen bond interaction hydrophobic information inhibit inhibiting inhibitory concentration Inhibitory effects interact Interaction M pro main protease molecular docking analysis parameter polyprotein precursor protease Protein proteolytic activity Recognition replicate SARS-CoV-2 SARS-COV-2 infection suggested thermodynamic [DOI] 10.1016/j.saa.2021.120595 PMC 바로가기 [Article Type] Article
Isolation and In Silico Anti-SARS-CoV-2 Papain-Like Protease Potentialities of Two Rare 2-Phenoxychromone Derivatives from Artemisia spp.Article Published on 2022-02-112022-10-30 Journal: Molecules [Category] COVID-19, COVID19(2023년), MERS, SARS, [키워드] Artemisia commutate 2-phenoxychromones addition ADMET being binding binding energy carried co-crystallized conducted COVID-19 COVID-19 Papain-Like Protease derivative derivatives drugs eight Enzymes exhibiting in silico indicated investigated Ligand MD simulations molecular molecular docking Molecular docking study molecular fingerprints PDB PLP potentiality SARS-CoV-2 Seven similarity Simulation study thermodynamic Toxicity [DOI] 10.3390/molecules27041216 PMC 바로가기 [Article Type] Article
In vitro testing and computational analysis of specific phytochemicals with antiviral activities considering their possible applications against COVID-19Research article Published on 2022-02-012022-10-05 Journal: South African Journal of Botany [Category] 신약개발, 치료제, [키워드] Analysis Anti-inflammatory antioxidant Antioxidative antiviral activity Antiviral products antiviral property AutoDock Biflavonoid biflavonoids binding affinity biological activity calculate candidate Characteristics Chinese coefficient Compound compounds computational analysis COVID-19 docking docking score drug-likeness Effect electrostatic examined Features free radical identify in vitro Inflammation Interaction investigated LPS macrophages molecular MPro Partition proinflammatory mediator quantum SARS-CoV-2 scavenging selected stimulated suggested tested the SARS-CoV-2 virus thermodynamic was performed [DOI] 10.1016/j.sajb.2022.02.009 [Article Type] Research article
Biophysical and structural characterizations of the effects of mutations on the structure-activity relationships of SARS-CoV-2 spike proteinArticle Published on 2022-01-012022-11-16 Journal: Molecules [Category] 변종, [키워드] ACE2 addition Analysis Antibody binding Antibody neutralization atomic binding binding kinetics change changes complement COVID-19 Cryo-electron microscopy cryo-EM cryo-EM structure Effect ENhance enzyme expression Folding stability functional help host receptor host-pathogen interactions Impact in vitro induce information investigated kinetic mammalian cell Microscopy molecular molecular basis morphological change Mutation mutations Protein provide Receptor binding recombinant S protein robust SARS-CoV-2 SARS-CoV-2 spike protein stability staining Structure the S protein thermodynamic Transmissibility variant [DOI] 10.1016/bs.mie.2022.07.013 PMC 바로가기
Molecular insights into receptor binding energetics and neutralization of SARS-CoV-2 variantsArticle Published on 2021-11-302022-10-04 Journal: Nature Communications [Category] MERS, SARS, 변종, [키워드] Affect affected Antibody neutralization atomic Atomic force microscopy binding cellular detail complex Computational biophysics greater human ACE2 receptor Immunity increase in investigated isolate kinetic knowledge Microscopy molecular Molecular dynamics simulation Mutation N501Y N501Y mutation Nanoscale biophysics neutralization observé pathology Proteins provide RBD-ACE2 Receptor binding SARS-CoV-2 SARS-CoV-2 variant several variant significant increase significantly Spike protein stability structural property thermodynamic unlikely viral mutation viral replication virulence while [DOI] 10.1038/s41467-021-27325-1 PMC 바로가기 [Article Type] Article
Synthesis, Antimicrobial, Anticancer, PASS, Molecular Docking, Molecular Dynamic Simulations & Pharmacokinetic Predictions of Some Methyl β-D-Galactopyranoside AnalogsArticle Published on 2021-11-202022-10-30 Journal: Molecules [Category] COVID-19, SARS, [키워드] activities anticancer antimicrobial antiviral activity Bacteria binding pattern calculate Cell chloride Compound Concentration conducted COVID-19 Density functional theory dynamic FIVE fungi in silico inhibitor MBC methyl β-D-galactopyranoside MGP minimum molecular docking molecular dynamics Molecular dynamics simulation MTT Pass pharmacokinetic physicochemical physicochemical property prediction protease Simulation structures suggested synthesis the SARS-CoV-2 therapeutic target thermodynamic Toxicity was used [DOI] 10.3390/molecules26227016 PMC 바로가기 [Article Type] Article
Shortening Epitopes to Survive: The Case of SARS-CoV-2 Lambda VariantArticle Published on 2021-10-102022-10-28 Journal: Biomolecules [Category] COVID-19, SARS, [키워드] affecting Analysis Combination Effect epitope epitope loop shortening host immunity immunoevasion immunogenic in silico interaction energy interest investigated Lambda Lambda variant Mutation N-glycosylation site parameter Protein Region SARS-CoV-2 shortening South spread to stability the Spike thermodynamic variant viral variant [DOI] 10.3390/biom11101494 PMC 바로가기 [Article Type] Article