Molecular interactions and inhibition of the SARS-CoV-2 main protease by a thiadiazolidinone derivativeArticle Published on 2022-11-012022-11-15 Journal: Proteins [Category] COVID19(2023년), SARS, 치료제, [키워드] comparable conformational docking enzyme inhibitor Interaction involved Local main protease molecular molecular dynamics Molecular dynamics simulation molecular interaction Pro probe protease protocol SARS-CoV-2 the SARS-CoV-2 thiadiazolidinone. viral life cycle [DOI] 10.1002/prot.26385 PMC 바로가기
Theoretical investigation on the interactions of microplastics with a SARS-CoV-2 RNA fragment and their potential impacts on viral transport and exposureSARS-CoV-2 RNA 단편과 미세 플라스틱의 상호 작용 및 바이러스 수송 및 노출에 대한 잠재적 영향에 대한 이론적 조사Article Published on 2022-10-102022-09-11 Journal: The Science of the total environment [Category] COVID19(2023년), SARS, 유전자 메커니즘, [키워드] acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 Affect affinity Behavior Behavior and fate cause condition coronavirus coronavirus disease Coronavirus disease-19 COVID-19 determine electrostatic environmental conditions Environmental pollution Evidence exposure to facilitate FIVE greater HBV hepatitis B Hepatitis B virus Human hydrophobic Impact independent independent of inherent Interaction involved Lungs mechanism media Microplastic pollution microplastics molecular molecular dynamic simulations molecular interaction molecular volume Nucleic acid material pandemic pandemic spread parameter polar risk RNA RNA fragment SARS-CoV-1 SARS-CoV-2 SARS-CoV-2 RNA SARS-CoV-2 transmission severe acute respiratory syndrome Coronavirus Spread strong interaction surface area temperature the SARS-CoV-2 Transport vacuum virus water [DOI] 10.1016/j.scitotenv.2022.156812 PMC 바로가기 [Article Type] Article
Structural Reshaping of the Zinc-Finger Domain of the SARS-CoV-2 nsp13 Protein Using Bismuth(III) Ions: A Multilevel Computational StudyArticle Published on 2022-10-032022-11-16 Journal: Inorganic chemistry [Category] COVID19(2023년), SARS, 변종, [키워드] analyses anti-SARS-CoV-2 Anti-SARS-CoV-2 Activity classical decrease degrade domain Effect Efficacy Evidence evidenced extension feature Helicase hydrophobic immune Interaction Ion MD simulations MIF Modification molecular molecular interaction non-structural protein nsp12 protein nsp13 Occurrence pandemic Protein provide Research responsible SARS-COV-2 infection the SARS-CoV-2 the vaccine therapeutic strategy variants [DOI] 10.1021/acs.inorgchem.2c02685 PMC 바로가기
SARS-CoV-2 Spatiotemporal Genomic and Molecular Analysis of the First Wave of the COVID-19 Pandemic in Macaé, the Brazilian Capital of OilArticle Published on 2022-09-292022-11-16 Journal: International Journal of Molecular Sciences [Category] SARS, 변종, 유전자 메커니즘, [키워드] Analysis B.1.1.28 B.1.1.33 Brazil Capital Clinical data COVID-19 COVID-19 pandemic COVID-19 severity death Epidemiology event functional genomic hotspot human ACE2 Integrative analysis Interaction Lineage Local Macaé molecular molecular interaction mutated Occurrence Oil outbreak Patient performed SARS-CoV-2 SARS-CoV-2 mutation SARS-CoV-2 virus infection second Spike protein Spread target the SARS-CoV-2 Transmission viral lineages viral mutation virus Wave wild-type [DOI] 10.3390/ijms231911497 PMC 바로가기
Identification of SARS-CoV-2 Main Protease Inhibitors from a Library of Minor Cannabinoids by Biochemical Inhibition Assay and Surface Plasmon Resonance Characterized Binding AffinityArticle Published on 2022-09-192022-11-15 Journal: Molecules [Category] SARS, 치료제, [키워드] activity acute respiratory syndrome affinity binding binding affinity biochemical biochemical assay cannabinoid chemotype coronavirus coronavirus disease COVID-19 decarboxylation Effect evaluated Evidence finding identification in silico inhibition inhibitor inhibitory effect library M pro main protease (Mpro) minor minor cannabinoids molecular docking molecular interaction Plasmon protease Protein Replication reported resonance SARS-CoV-2 SPR structure and activity relationship Support surface surface plasmon resonance the binding affinity therapeutic target [DOI] 10.3390/molecules27186127 PMC 바로가기
MiRNA-SARS-CoV-2 dialogue and prospective anti-COVID-19 therapiesMiRNA-SARS-CoV-2 대화 및 전향적인 항-COVID-19 치료법Review Published on 2022-09-152022-09-11 Journal: Life sciences [Category] COVID19(2023년), MERS, SARS, 바이오마커, 변종, 비임상, 진단, 치료기술, 치료제, [키워드] acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus-2 adverse effect adverse effects Affect antiviral response approach approved Biomarker caused Cell signaling chance Clinical significance Comorbidities coronavirus Coronavirus-2 country COVID-19 COVID-19 illness COVID-19 infection COVID-19 pathogenesis COVID-19 patient Critical death detect differential expression disease disease onset disease pathology effort etiology expression FDA focus Host host cell host inflammatory response host miRNA host miRNAs identify Infection life cycle microRNA miRNA miRNAs molecular interaction non-coding RNA offer pathogen Pathogen-host interaction patients with COVID-19 post-transcriptionally quest reduce respiratory respond RNA RNA silencing SARS Coronavirus SARS coronavirus 2 SARS coronavirus 2. SARS-CoV-2 SARS-CoV-2 variant SARS-CoV-2 variants SARS-CoV-2 virus Severe acute respiratory syndrome severe acute respiratory syndrome Coronavirus severity Signaling target gene the SARS-CoV-2 virus therapy treat Treatment Viral viral miRNA viral miRNAs [DOI] 10.1016/j.lfs.2022.120761 PMC 바로가기 [Article Type] Review
SARS-CoV-2 Spike mutations modify the interaction between virus Spike and human ACE2 receptorsSARS-CoV-2 스파이크 돌연변이는 바이러스 스파이크와 인간 ACE2 수용체 간의 상호 작용을 수정합니다Article Published on 2022-09-102022-09-11 Journal: Biochemical and Biophysical Research Communication [Category] COVID19(2023년), SARS, 변종, [키워드] ACE2 binding carried complex COVID-19 Effectiveness ENhance feature Health highest human ACE2 receptor Infection interact Interaction interface interface region Interface residues investigated modify molecular molecular interaction mutability Mutation mutations neutralization observé professional Protein question Repurposed drug Repurposed drugs researchers residue SARS-CoV-2 SARS-CoV-2 Spike mutation SARS-CoV-2 virus Scientific community severity significantly spike Spike protein spike-ACE2 stability the SARS-CoV-2 virus the Spike Vaccine virus Virus spike [DOI] 10.1016/j.bbrc.2022.06.064 PMC 바로가기 [Article Type] Article
A novel structure-based approach for identification of vertebrate susceptibility to SARS-CoV-2: Implications for future surveillance programmesSARS-CoV-2에 대한 척추동물 감수성 식별을 위한 새로운 구조 기반 접근 방식: 미래 감시 프로그램에 대한 의미Article Published on 2022-09-012022-09-11 Journal: Environmental research [Category] COVID19(2023년), SARS, 유전자 메커니즘, [키워드] ACE2 ACE2 ortholog ACE2 orthologs acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 Analysis angiotensin Angiotensin-converting enzyme angiotensin-converting enzyme 2 approach binding affinity conservation contribute coronavirus Critical Cross-species transmission debatable dissociation Dissociation constant domain facilitate facilitated genetic determinant genetic determinants highlight Host host cell host cell receptor host cells host range hosts in vivo Intensive interacting residue Interaction isoform Ligand mechanism molecular interaction Outbreaks Pathogens Prevent profile Protein protein structure Receptor-binding domain SARS-CoV-2 SARS-COV-2 infection SARS-CoV-2 spike protein Scientific community severe acute respiratory syndrome Coronavirus spike Spike protein Surveillance susceptibility susceptible the SARS-CoV-2 understanding Vertebrate Vertebrate species. viral evolution virus entry zoonotic pathogens [DOI] 10.1016/j.envres.2022.113303 PMC 바로가기 [Article Type] Article
Mechanistic insights into global suppressors of protein folding defectsArticle Published on 2022-08-292022-11-16 Journal: PLoS Genetics [Category] SARS, 변종, 유전자 메커니즘, [키워드] accelerate aggregation amino acid substitution bacterial toxin caused characterized Combination crystal structure driver Effects ENhance Evolution examined facilitate functional protein in vitro in vivo inactive increase in Isolation loss-of-function loss-of-function mutations mechanism molecular interaction MOST mutants Mutation Neutral observé parameter Phenotypes promote Protein responsible shown stability suppressor suppressor mutation the SARS-CoV-2 thermodynamic while wildtype [DOI] 10.1371/journal.pgen.1010334 PMC 바로가기
Identification and Inhibition of the Druggable Allosteric Site of SARS-CoV-2 NSP10/NSP16 Methyltransferase through Computational Approaches컴퓨터 접근을 통한 SARS-CoV-2 NSP10/NSP16 메틸트랜스퍼라제의 약물 가능 알로스테릭 부위의 식별 및 억제Article Published on 2022-08-172022-09-11 Journal: Molecules [Category] SARS, 변종, [키워드] affected allosteric site antagonistic action assessment binding free energy caused complexes Compound COVID-19 COVID-19 pandemic Drug discovery drug library effort enzyme evaluated exhibited Health Host identification Infectious virus inhibition inhibitor inhibitors life life cycle methyl transferase methyltransferase molecular molecular docking molecular dynamics Molecular dynamics simulation molecular interaction Perspective proliferation PROTECT Research robust SARS-CoV-2 SARS-CoV-2 life cycle screened Simulation Site stability target the SARS-CoV-2 these compound these compounds variants Viral RNA was performed [DOI] 10.3390/molecules27165241 PMC 바로가기 [Article Type] Article