Molecular dynamics studies reveal structural and functional features of the SARS-CoV-2 spike protein분자 역학 연구는 SARS-CoV-2 스파이크 단백질의 구조적 및 기능적 특징을 보여줍니다Review Published on 2022-09-012022-09-11 Journal: Bioessays [Category] COVID19(2023년), SARS, 변종, 신약개발, [키워드] approach atomic level Cell Computational approaches conformational changes COVID-19 pandemic Drug repurposing effort epitope Epitopes feature functional glycans Infection Invasion molecular molecular dynamics Perspective Protein responsible S protein SARS-CoV-2 SARS-CoV-2 virus Scientific community Spike protein the SARS-CoV-2 the spike protein variant variants [DOI] 10.1002/bies.202200060 PMC 바로가기 [Article Type] Review
Novel covalent and non-covalent complex-based pharmacophore models of SARS-CoV-2 main protease (M pro) elucidated by microsecond MD simulations마이크로초 MD 시뮬레이션으로 밝혀진 SARS-CoV-2 주요 프로테아제(M pro)의 새로운 공유 및 비공유 복합 기반 약전 모델Article Published on 2022-08-182022-09-11 Journal: Scientific Reports [Category] SARS, 치료제, [키워드] active site Analysis AUC values cascade category caused complex conformational changes COVID-19 treatment develop Diagnosis docking drug target effective effort exhibited highest in silico inhibitor inhibitors Interaction knowledge M pro MD simulation MM/PBSA molecular molecular dynamics molecular dynamics simulations novel pandemic pocket Protein protein-ligand protocol reported residue SARS-CoV-2 SARS-CoV-2 main protease the SARS-CoV-2 therapeutic agent Treatment strategies Virtual screening [DOI] 10.1038/s41598-022-17204-0 PMC 바로가기 [Article Type] Article
Structure of SARS-CoV-2 membrane protein essential for virus assembly바이러스 조립에 필수적인 SARS-CoV-2 막 단백질의 구조Article Published on 2022-08-052022-09-11 Journal: Nature Communications [Category] SARS, 변종, 치료법, [키워드] Analysis component composed conformational changes conformations conserved coronavirus cryo Cryo-electron microscopy domain domains electron microscopy form hinge region Interaction ion channel M protein mechanism membrane protein morphogenesis nucleocapsid protein oligomers ORF3a Protein recruitment RNA SARS-CoV-2 SARS-CoV-2 ORF3a structural protein Structure the SARS-CoV-2 therapeutic intervention transmembrane virus [DOI] 10.1038/s41467-022-32019-3 PMC 바로가기 [Article Type] Article
Optimization of an rGO-based biosensor for the sensitive detection of bovine serum albumin: Effect of electric field on detection capabilityArticle Published on 2022-08-012023-07-08 Journal: Chemosphere [Category] COVID19(2023년), [키워드] biosensor BSA conformational changes Detection capability electric field Graphene oxide sensitivity [DOI] 10.1016/j.chemosphere.2022.134700
An Electrostatically-steered Conformational Selection Mechanism Promotes SARS-CoV-2 Spike Protein Variation정전기로 조종되는 구조적 선택 메커니즘은 SARS-CoV-2 스파이크 단백질 변이를 촉진합니다Article Published on 2022-07-152022-09-11 Journal: Journal of Molecular Biology [Category] COVID19(2023년), SARS, 변종, 유전자 메커니즘, [키워드] ACE2 amino acids Analysis analyzed collected conformational conformational change conformational changes COVID-19 COVID-19 pandemic Critical Cross-species transmission epidemiological epidemiological surveillance Evolution fusion global public health global public health emergency HADDOCK heterogeneity host cell host cell receptor hydrophobicity identify immune evasion IMPROVE local interaction local interactions MOST outbreak promote Protein protein–protein interactions Recognition recorded reducing Region replacing risk S protein SARS-CoV-2 SARS-CoV-2 variant SARS-CoV-2 variants Selection sequence variation spike Substitution substitutions Surveillance the S protein trimer vaccination Vaccine development variant [DOI] 10.1016/j.jmb.2022.167637 PMC 바로가기 [Article Type] Article
Inhibitor induced conformational changes in SARS-COV-2 papain-like protease억제제는 SARS-COV-2 파파인 유사 프로테아제에서 구조적 변화를 유도했습니다.Article Published on 2022-07-082022-09-11 Journal: Scientific Reports [Category] COVID19(2023년), SARS, 치료제, [키워드] Accessibility Analysis complexes conformation conformational change conformational changes contribute crystal structures expand IMPROVE inhibitor inhibitors Interaction interactions Ligand ligands molecular molecular dynamics Molecular dynamics simulation molecular dynamics simulations myriad Papain Papain-like protease PCA protease reported SARS-CoV-2 trajectory [DOI] 10.1038/s41598-022-15181-y PMC 바로가기 [Article Type] Article
Potential of antiviral peptide-based SARS-CoV-2 inactivators to combat COVID-19COVID-19 퇴치를 위한 항바이러스 펩티드 기반 SARS-CoV-2 불활성화제의 가능성Article Published on 2022-06-032022-09-11 Journal: PLoS ONE [Category] COVID19(2023년), SARS, 변종, 치료제, [키워드] acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 alteration angiotensin Angiotensin-converting enzyme angiotensin-converting enzyme 2 anti-SARS-CoV-2 Antiviral antiviral drug antiviral drugs antiviral therapeutics appearance binding binding energy can be used Candidates caused Cell cells complexes conformational change conformational changes coronavirus coronavirus disease Coronavirus disease 2019 COVID-19 effective Effectiveness enzyme evidenced experiment geometric host cells host receptor hydrogen Hydrogen bond hydrogen bonds hydrophobic hydrophobic interactions identify inactivation increase in induce infecting Infectious disease lack membrane fusion molecular molecular dynamics MOST non-toxic peptide peptide-based peptides permeability Potential Protein SARS-CoV-2 SARS-CoV-2 spike protein severe acute respiratory syndrome Coronavirus solvent Spike protein stability surface area target the spike protein Therapies Treatment Vaccine variant viral cell Virtual screening virus water [DOI] 10.1371/journal.pone.0268919 PMC 바로가기 [Article Type] Article
Binding Interactions between Receptor-Binding Domain of Spike Protein and Human Angiotensin Converting Enzyme-2 in Omicron Variant오미크론 변이체에서 스파이크 단백질의 수용체 결합 도메인과 인간 안지오텐신 전환 효소-2 간의 결합 상호작용Article Published on 2022-05-052022-09-11 Journal: The journal of physical chemistry letters [Category] COVID19(2023년), SARS, 변종, [키워드] ACE2 ACE2 binding Affect angiotensin Antibody neutralization bind conformational changes contagious COVID-19 pandemic decrease distribution electrostatic interactions exacerbated Human K417N molecular molecular dynamics Mutation mutations N501Y new SARS-CoV-2 omicron Other predicted RBD RBD mutation Receptor-binding domain resulting S-protein spike Spike protein Strains systematic analysis T478K the receptor-binding domain the spike protein Transmissibility variant [DOI] 10.1021/acs.jpclett.2c00423 PMC 바로가기 [Article Type] Article
Detection of a disulphide bond and conformational changes in Shigella flexneri Wzy, and the role of cysteine residues in polymerase activity시겔라 플렉스네리 Wzy에서 이황화 결합 및 구조적 변화의 탐지와 폴리머라제 활성에서 시스테인 잔기의 역할Article Published on 2022-05-012024-08-22 Journal: Cities [Category] 세균성이질, [키워드] conformational changes disulphide bond mPEG. O-antigen polymerase Wzy
The Physical Basis for pH Sensitivity in Biomolecular Structure and Function, With Application to the Spike Protein of SARS-CoV-2Molecular Biosciences Published on 2022-02-182022-10-31 Journal: Frontiers in Molecular Biosciences [Category] COVID-19, [키워드] acquisition application Basis benefit bioinformatics calculate conformation conformational changes Coronaviruses demonstrated effort experimental structure form function functional histidine increasingly Interaction mitigate modulation molecular Molecular dynamics simulation Neutral omicron pH dependence physical predict Protein protein electrostatics question SARS-CoV-2 sensitivity solvent Spike protein Stage Structure structures the Spike the spike protein variant spike variants Variation [DOI] 10.3389/fmolb.2022.834011 PMC 바로가기 [Article Type] Molecular Biosciences