Broad-Spectrum Extracellular Antiviral Properties of Cucurbit[ n]urilsArticle Published on 2022-10-142022-11-15 Journal: ACS Infectious Diseases [Category] COVID19(2023년), SARS, 치료제, [키워드] acting amino acids Antiviral Antiviral compound Antiviral effect antivirals Cell Compound compounds Contact cucurbituril disease dose−response Efficacy Extracellular herpes simplex homologue Interaction investigated macrocycle mechanism morbidity Mortality nontoxic pathogen property Protein respiratory syncytial virus responsible RSV SARS-CoV-2 viral surface virucidal virus viruses virustatic. [DOI] 10.1021/acsinfecdis.2c00186 PMC 바로가기
A ribosomally synthesised and post-translationally modified peptide containing a β-enamino acid and a macrocyclic motif Research Published on 2022-08-262022-10-05 Journal: Nature Communications [Category] 변종, [키워드] C-terminal characteristic complex conserved demonstrated enzyme genomic Genomic analysis homolog homologue Lyase motif Occurrence oxidative decarboxylation pathway peptide posttranslational modifications residue responsible subsequent synthesised [DOI] 10.1038/s41467-022-32774-3 [Article Type] Research
Interaction of the new inhibitor paxlovid (PF-07321332) and ivermectin with the monomer of the main protease SARS-CoV-2: A volumetric study based on molecular dynamics, elastic networks, classical thermodynamics and SPT새로운 억제제 paxlovid(PF-07321332)와 이버멕틴과 주요 프로테아제 SARS-CoV-2의 단량체와의 상호 작용: 분자 역학, 탄성 네트워크, 고전적 열역학 및 SPT를 기반으로 한 체적 연구Article Published on 2022-08-012022-09-11 Journal: Computational biology and chemistry [Category] COVID19(2023년), MERS, SARS, 진단, 치료제, [키워드] accelerated ANM bind binding binding site blind catalytic catalytic site catalytic sites classical clinical trial clinical trials complex complexes covalent binding COVID-19 COVID-19 pandemic docking drugs electric dipole moment feasible flexible fluctuation fluctuations form GNM homologue inhibitor Interaction intrinsic involved Ivermectin ivermectin B1a M pro molecular molecular dynamics molecular mechanism monomer Paxlovid PF-07321332 protease Protein Region reported scaled SPT structural flexibility Support Viral Volume Volume fluctuation Volume Molar volumetric Voronoi. [DOI] 10.1016/j.compbiolchem.2022.107692 PMC 바로가기 [Article Type] Article
Virtual repurposing of ursodeoxycholate and chenodeoxycholate as lead candidates against SARS-Cov2-Envelope protein: A molecular dynamics investigationSARS-Cov2-Envelope 단백질에 대한 주요 후보로 우르소데옥시콜레이트 및 케노데옥시콜레이트의 가상 용도 변경: 분자 역학 조사Article Published on 2022-07-012022-09-11 Journal: Journal of biomolecular structure & dynamics [Category] COVID19(2023년), SARS, 신약개발, [키워드] absence affected Analysis binding blind candidate caused CDC channel Chenodeoxycholate Comparative complexes computational method Contact COVID-19 disrupting docking DPPC drug Drug repurposing envelope protein evaluate facilitated followed by functional generate group H-bonding H-bonds homologue homology hydrophobic inhibitor membrane molecular molecular docking molecular dynamics Molecular dynamics simulation molecular dynamics simulations molecular interaction monomeric observation polar profile residue SARS-Cov2-E sequence identity Structural properties structural property survival trajectory transmembrane region ursodeoxycholate ursodeoxycholate. viral cell was used water water molecule water molecules [DOI] 10.1080/07391102.2020.1868339 PMC 바로가기 [Article Type] Article
ACE and ACE2: insights from Drosophila and implications for COVID-19Review article Published on 2021-12-072022-10-05 Journal: Heliyon [Category] 변종, [키워드] accelerated ACE ACE2 Acer acute respiratory syndrome addition Ance Biochemistry Cardiovascular function catalytically cellular entry conserved coronavirus coronavirus disease COVID-19 COVID-19 pandemic Drosophila Drosophila melanogaster enzyme function functional highlight homologue homology identify implication in vivo knowledge mammalian organism orthologue pathogenicity peptides provide raise recent receptor renin-angiotensin system Research responsible SARS-CoV-2 therapeutic intervention unique utility Vaccine variants various coronaviruses Vasoactive Virus-host interaction [DOI] 10.1016/j.heliyon.2021.e08555 [Article Type] Review article
Understanding the role of ACE-2 receptor in pathogenesis of COVID-19 disease: a potential approach for therapeutic interventionCOVID-19 질병의 발병기전에서 ACE-2 수용체의 역할 이해: 치료적 개입을 위한 잠재적 접근Review Published on 2021-12-012022-09-11 Journal: Pharmacological Reports [Category] SARS, 변종, [키워드] ACE ACE gene ACE-2 receptor ACE2 ACE2 receptor ACE2 receptors acute lung injury acute respiratory distress syndrome aldosterone angiotensin Angiotensin-converting enzyme angiotensin-converting enzyme-2 approach cardiovascular system Cell correlation COVID-19 COVID-19 pathogenesis disorders distress enzyme genomic variant homologue human cells hypertension intake lung Lung injury manifestation medications molecular pandemic of COVID-19 pathogenesis of COVID-19 pathophysiology pathway persistence Proteins question raised raising receptor Renin renin-angiotensin-aldosterone system researcher respiratory distress Respiratory distress syndrome rhACE2 SARS-CoV-2 SARS-CoV-2-infected patients therapeutic intervention these viruses understanding viral particle virus [DOI] 10.1007/s43440-021-00303-6 PMC 바로가기 [Article Type] Review
Neutral evolution test of the spike protein of SARS-CoV-2 and its implications in the binding to ACE2Article Published on 2021-09-222022-10-04 Journal: Scientific Reports [Category] SARS, 변종, [키워드] ACE2 Arg binding consequence Epidemiology Evolution expected fixed Health highest homologue host proteins immune system implication in vivo Interaction isolate mechanism Medical research Mutation Neutral nucleic acid Occurrence occurrence rate pandemic performed Probability Protein protein interaction public health random RBD receptor resulting SARS-CoV-2 SARS-CoV-2 spike protein selected selective pressure selective pressures sequence spike Spike protein Spread stability the SARS-CoV-2 the spike protein transmissible variant unique Val variant variants Viral particles virus [DOI] 10.1038/s41598-021-96950-z PMC 바로가기 [Article Type] Article
Identifying SARS-CoV-2 antiviral compounds by screening for small molecule inhibitors of nsp12/7/8 RNA-dependent RNA polymeraseBiochemical Techniques & Resources Published on 2021-07-162022-10-28 Journal: Biochemical Journal [Category] COVID-19, Fulltext, SARS, [키워드] acute respiratory syndrome Antiviral compound antiviral efficacy approach approved biochemically catalytic complex complexes Compound coronavirus coronavirus disease CoV COVID-19 drug effective enzymatic activity expressed global pandemic growth homologue host cells human cells identify identifying in viral in vitro inhibitor inhibitors lack MONITOR Nsp12 pandemic pharmacological public health purified RdRP Replication repurposing Research RNA virus RNA-dependent RNA polymerase RTC safety profile SARS-CoV-2 SARS-CoV-2 RdRp sequence single-stranded positive-sense small molecule inhibitor Suramin target [DOI] 10.1042/BCJ20210200 PMC 바로가기 [Article Type] Biochemical Techniques & Resources
The glomerular filtration barrier: a structural target for novel kidney therapies Reviews Published on 2021-07-142022-10-05 Journal: Nature Reviews Drug Discovery [Category] 바이오마커, [키워드] Affect APOL1 Cell cells characterized component contractile contribute CoQ10 disease diuretics endothelial experiment genetics glomerular filtration growth factor homologue Immunosuppressive agents include inhibitor Intercellular communication intervene kidney Kidney disease Kidney function Loss maintain Mitochondrial function molecular target morbidity and mortality MOST podocyte question receptor review ROBO2 suPAR surface receptor therapy treated tyrosine Vascular [DOI] 10.1038/s41573-021-00242-0 [Article Type] Reviews
SARS-CoV-2 Simulations Go Exascale to Capture Spike Opening and Reveal Cryptic Pockets Across the ProteomeSARS-CoV-2 시뮬레이션은 엑사스케일을 사용하여 스파이크 오프닝을 캡처하고 프로테옴 전체에 비밀 포켓을 나타냅니다.Article Published on 2021-06-122022-09-10 Journal: Nature chemistry [Category] SARS, 변종, 치료제, [키워드] antivirals capture closed structures complex conformational change conformational changes distributed computing Epitopes expand explain Folding@home homologue immune immune evasion Infection less mechanism modulate observé open opening pocket predict Probability Protein protein structures Proteins proteome Quantitative Receptor binding Replication SARS-CoV-2 Simulation spike Structure suppression Viral [DOI] 10.1038/s41557-021-00707-0 PMC 바로가기 [Article Type] Article