Live virus neutralization testing in convalescent patients and subjects vaccinated against 19A, 20B, 20I/501Y.V1 and 20H/501Y.V2 isolates of SARS-CoV-2SARS-CoV-2의 19A, 20B, 20I/501Y.V1 및 20H/501Y.V2 분리주에 대한 백신 접종을 받은 회복기 환자 및 피험자의 생 바이러스 중화 테스트Letter Published on 2021-08-012022-09-10 Journal: Emerging Microbes & Infections [Category] SARS, 변종, 진단, [키워드] 20B 20h/501Y.V2 20I/501Y.V1 antibody Antibody titers antigenicity B.1.1.7 B.1.1.7 lineage B.1.351 BNT161b2 Cell collected conformational change conformational changes convalescent convalescent patient COVID-19 Critical critical COVID-19 patients critical patients groups HCW HCWs healthcare worker Humoral response induce Infection initial isolate lead Lineage Live virus live virus neutralization test Mild Modification modifications neutralization neutralization ability neutralization capacity neutralization test Neutralizing antibody titer neutralizing antibody titers neutralizing capacity no significant difference Patient patients Pfizer-BioNTech Population post infection Prevent reduction in SARS-CoV-2 SARS-CoV-2 mutation serum sample serum samples significant decrease significant difference Spike protein strain subject the spike protein variant variant of concern Virus neutralization [DOI] 10.1080/22221751.2021.1945423 PMC 바로가기 [Article Type] Letter
In silico Screening of Natural Phytocompounds Towards Identification of Potential Lead Compounds to Treat COVID-19Molecular Biosciences Published on 2021-07-052022-10-31 Journal: Frontiers in Molecular Biosciences [Category] COVID-19, [키워드] Allium analyses Analysis approaches binding free energy catalytic dyad Compound conformational changes coronavirus COVID-19 Curcuma Cys145 died drug Drug discovery drugs His41 hotspot humans identification identify in silico Interaction involved M pro main protease Molecular dynamics simulation natural natural medicinal plants over parameters plant Potential Potential treatment Protein researcher residue S-ACE2 screened Screening selected stability Structure-based virtual screening the binding affinity viral entry Virtual screening Zingiber [DOI] 10.3389/fmolb.2021.637122 PMC 바로가기 [Article Type] Molecular Biosciences
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
COVID-19: insights into virus–receptor interactionsPerspective Published on 2021-04-102022-10-30 Journal: Molecular Biomedicine [Category] COVID-19, [키워드] ACE2 ACE2 receptor acute respiratory syndrome Adsorption Analysis approach assessment biological interaction conformational change conformational changes coronavirus coronavirus strain COVID-19 disease Factor glycosylation host cell hydrophobicity Interaction interactions kinetic outbreak probe SARS-CoV-2 sequence similarity thermodynamic Thermodynamics transmissibility of SARS-CoV-2 Virus-cell interactions [DOI] 10.1186/s43556-021-00033-4 PMC 바로가기 [Article Type] Perspective
Role of Hydrogen Bonds in Formation of Co-amorphous Valsartan/Nicotinamide Compositions of High Solubility and Durability with Anti-hypertension and Anti-COVID-19 Potential항고혈압 및 항-COVID-19 잠재성을 지닌 높은 용해도 및 내구성을 갖는 공동-비정질 발사르탄/니코틴아미드 조성물의 형성에서 수소 결합의 역할Article Published on 2021-04-012022-08-31 Journal: Molecular Pharmaceutics [Category] 치료제, [키워드] (nicotinamide) acting active pharmaceutical ingredient analyses angiotensin Angiotensin II anti-hypertensive applied approaches Bioavailability bond caused characterized co-amorphization conformational change conformational changes coronavirus COVID-19 Density functional theory Donor drug drugs Effects Efficacy exhibit flexible Formation functional heterodimeric hydrogen Hydrogen bond hydrogen bonds hypertension ingredient Interaction key factor liquid low molecular weight lung market molecules NIC nicotinamide pandemic coronavirus Physicochemical properties Potential quantum theory receptor receptor blocker responsible role SARS-COV-2 infection solid dispersion solubility treat valsartan X-ray [DOI] 10.1021/acs.molpharmaceut.0c01096 PMC 바로가기 [Article Type] Article
Intranasal fusion inhibitory lipopeptide prevents direct-contact SARS-CoV-2 transmission in ferrets비강 내 융합 억제 리포펩티드는 흰 족제비에서 SARS-CoV-2 직접 접촉 전파를 방지합니다Report Published on 2021-03-262022-09-10 Journal: Science (New York, N.y.) [Category] MERS, SARS, 신약개발, 치료제, [키워드] 24 hour 24 hours acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 administration animal model bind biodistribution C terminus Cell complementary condition conformational change conformational changes conserved Contact Containment coronavirus COVID-19 pandemic Critical Daily dimeric disease effective Efficacy ferret ferrets fusion glycoprotein host cell host cell membrane host cell membranes host cells in vitro in vivo Infection inhibit inhibitor inhibitory initiate initiated intranasal life history lipoprotein Lipoproteins membrane fusion mutant viruses peptide Prevent prevented Prophylactic Prophylaxis reduce reducing respiratory Safe SARS-CoV-2 SARS-CoV-2 transmission Science selected severe acute respiratory syndrome Coronavirus severe acute respiratory syndrome coronavirus 2 sick Spike protein target tested translate Transmission transmission of SARS-CoV-2 Viral viral spike protein Viral transmission virus [DOI] 10.1126/science.abf4896 PMC 바로가기 [Article Type] Report
Generalized linear models provide a measure of virulence for specific mutations in SARS-CoV-2 strains일반화된 선형 모델은 SARS-CoV-2 균주의 특정 돌연변이에 대한 독성 측정값을 제공합니다.Research Article Published on 2021-01-262022-09-10 Journal: PLoS ONE [Category] 변종, 치료법, [키워드] Alter appear approaches association conformational change conformational changes death Frequency Generalized genetic data GISAID highlight indication information Linear model Mutation mutations ORF3a Protein protein structure public health Q57H SARS-CoV-2 mutations SARS-CoV-2 strain selective significantly specific mutation specific mutations strain Viral viral strains Viral virulence virulence [DOI] 10.1371/journal.pone.0238665 PMC 바로가기 [Article Type] Research Article
Microsecond MD Simulation and Multiple-Conformation Virtual Screening to Identify Potential Anti-COVID-19 Inhibitors Against SARS-CoV-2 Main ProteaseChemistry Published on 2021-01-132022-10-31 Journal: Frontiers in Chemistry [Category] COVID-19, [키워드] acute respiratory syndrome Against Amino acid Analysis approach binding caused Chinese Compound conformational changes coronavirus COVID-19 Cys145 database docking ensemble sampling enzymatic activity enzyme experimental validation explained functional Gly143 Health His41 Human inhibiting viral replication inhibitor involved M pro MD simulation MD simulations mechanism Medicine molecular molecular dynamics natural products outbreak pandemic Potential protease protein stability provide raised residue SARS-CoV SARS-CoV-2 SARS-CoV-2 main protease screened Screening Simulation TCM Traditional Treatment [DOI] 10.3389/fchem.2020.595273 PMC 바로가기 [Article Type] Chemistry
Surveying the Side-Chain Network Approach to Protein Structure and Dynamics: The SARS-CoV-2 Spike Protein as an Illustrative CaseMolecular Biosciences Published on 2020-12-182022-10-31 Journal: Frontiers in Molecular Biosciences [Category] COVID-19, [키워드] Allostery Analysis approach backbone change conformational change conformational changes conformational dynamics coronavirus criteria described drug design ENhance example functions highlight human cells Ligand Metrics molecular dynamics simulations network network analysis network parameters network theory observé physical Protein protein side-chain network Proteins receptor reveal SARS-CoV-2 SARS-CoV-2 spike protein spike Spike protein Structure structures Surveying the SARS-CoV-2 the spike protein Variation variations [DOI] 10.3389/fmolb.2020.596945 PMC 바로가기 [Article Type] Molecular Biosciences
Repositioning of Ligands That Target the Spike Glycoprotein as Potential Drugs for SARS-CoV-2 in an In Silico StudyArticle Published on 2020-11-292022-10-30 Journal: Molecules [Category] COVID-19, [키워드] absence Amino acid bind binding candesartan cell membrane conformational changes COVID-19 Docking studies drug drugs FDA FDA-approved drugs food fusion peptide glycoprotein health emergency identify inhibit losartan molecular docking pandemic pharmacological agent Potential Prevent RBM receptor receptor binding motif repositioning Ritonavir SARS-CoV-2 specific treatment spike glycoprotein steroid target the SARS-CoV-2 the Spike this new coronavirus Treatment viral entry viral membrane virus replication [DOI] 10.3390/molecules25235615 PMC 바로가기 [Article Type] Article