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Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease 期刊论文
, 2020, 卷号: 368, 期号: 6497
作者:  Dai W.;  Zhang B.;  Jiang X.-M.;  Su H.;  Li J.;  Zhao Y.;  Xie X.;  Jin Z.;  Peng J.;  Liu F.;  Li C.;  Li Y.;  Bai F.;  Wang H.;  Cheng X.;  Cen X.;  Hu S.;  Yang X.;  Wang J.;  Liu X.;  Xiao G.;  Jiang H.;  Rao Z.;  Zhang L.-K.;  Xu Y.;  Yang H.;  Liu H.
收藏  |  浏览/下载：36/0  |  提交时间：2020/07/28
aldehyde  antimicrobial activity  drug  enzyme activity  infectivity  inhibitor  reaction kinetics  viral disease  Coronavirus  SARS coronavirus  3C-like proteinase, Coronavirus  antivirus agent  cysteine proteinase  viral protein  animal  Betacoronavirus  chemical structure  chemistry  Chlorocebus aethiops  Coronavirus infection  dog  drug design  drug effect  enzyme active site  enzymology  female  human  male  mouse  pandemic  preclinical study  protein tertiary structure  Sprague Dawley rat  toxicity testing  Vero cell line  virus pneumonia  Animals  Antiviral Agents  Betacoronavirus  Catalytic Domain  Chlorocebus aethiops  Coronavirus Infections  Cysteine Endopeptidases  Dogs  Drug Design  Drug Evaluation, Preclinical  Female  Humans  Male  Mice  Molecular Structure  Pandemics  Pneumonia, Viral  Protein Structure, Tertiary  Rats, Sprague-Dawley  Toxicity Tests  Vero Cells  Viral Nonstructural Proteins  
The evolving redox chemistry and bioavailability of vanadium in deep time 期刊论文
, 2020, 卷号: 18, 期号: 2
作者:  Moore E.K.;  Hao J.;  Spielman S.J.;  Yee N.
收藏  |  浏览/下载：14/0  |  提交时间：2020/07/28
alkali metal  alkaline earth metal  bioactivity  enzyme  enzyme activity  inhibitor  metabolism  microbial activity  network analysis  phosphate  protein  redox conditions  reduction  speciation (chemistry)  vanadium  
Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir 期刊论文
, 2020, 卷号: 368, 期号: 6498
作者:  Yin W.;  Mao C.;  Luan X.;  Shen D.-D.;  Shen Q.;  Su H.;  Wang X.;  Zhou F.;  Zhao W.;  Gao M.;  Chang S.;  Xie Y.-C.;  Tian G.;  Jiang H.-W.;  Tao S.-C.;  Shen J.;  Jiang Y.;  Jiang H.;  Xu Y.;  Zhang S.;  Zhang Y.;  Xu H.E.
收藏  |  浏览/下载：110/0  |  提交时间：2020/07/28
adenosine phosphate  alanine  antivirus agent  enzyme inhibitor  multiprotein complex  NSP7 protein, SARS-CoV-2  NSP8 protein, SARS-CoV-2  remdesivir  RNA directed RNA polymerase  RNA-dependent RNA polymerase, coronavirus  viral protein  virus RNA  Betacoronavirus  chemistry  cryoelectron microscopy  drug effect  enzyme active site  enzymology  metabolism  molecular model  physiology  protein conformation  virus replication  Adenosine Monophosphate  Alanine  Antiviral Agents  Betacoronavirus  Catalytic Domain  Cryoelectron Microscopy  Enzyme Inhibitors  Models, Molecular  Multiprotein Complexes  Protein Conformation  RNA Replicase  RNA, Viral  Viral Nonstructural Proteins  Virus Replication  
The body's dangerous defenders 期刊论文
, 2020, 卷号: 367, 期号: 6482
作者:  Leslie M.
收藏  |  浏览/下载：32/0  |  提交时间：2020/07/28
alvelestat  avacopan  chemokine receptor CXCR2  danirixin  leukocyte elastase  n [2 (2,3 difluorobenzylthio) 6 (2,3 dihydroxy 1 methylpropoxy) 4 pyrimidinyl] 1 azetidinesulfonamide  nemiralisib  simvastatin  leukocyte elastase inhibitor  antimicrobial activity  apoptosis  cell  enzyme activity  physiological response  ANCA associated vasculitis  Article  autoimmune disease  autoimmunity  bacterial pneumonia  bactericidal activity  bronchiolitis obliterans  drug targeting  extracellular matrix  extracellular trap  hematopoietic stem cell transplantation  human  immunity  immunocompetent cell  infection  inflammation  lung disease  neutrophil  neutrophil chemotaxis  nonhuman  priority journal  risk factor  sepsis  single cell RNA seq  autoimmune disease  chronic obstructive lung disease  clinical trial (topic)  drug effect  enzymology  immunology  lung tumor  neutrophil  Autoimmune Diseases  Clinical Trials as Topic  Humans  Lung Neoplasms  Neutrophils  Proteinase Inhibitory Proteins, Secretory  Pulmonary Disease, Chronic Obstructive  
Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved a-ketoamide inhibitors 期刊论文
, 2020, 卷号: 368, 期号: 6489
作者:  Zhang L.;  Lin D.;  Sun X.;  Curth U.;  Drosten C.;  Sauerhering L.;  Becker S.;  Rox K.;  Hilgenfeld R.
收藏  |  浏览/下载：30/0  |  提交时间：2020/07/28
alanine  alpha ketoamide inhibitor  antivirus agent  isoleucine  leucine  proteinase  Severe acute respiratory syndrome coronavirus 2 main protease  threonine  unclassified drug  crystal structure  drug  enzyme  enzyme activity  inhibitor  reaction kinetics  amino acid sequence  animal cell  animal experiment  animal tissue  antiviral activity  Article  catalysis  catalytic efficiency  controlled study  crystal structure  dimerization  dissociation constant  drug clearance  drug design  drug distribution  drug half life  drug potency  drug protein binding  drug solubility  drug structure  EC50  enzyme inhibition  human  human cell  hydrogen bond  hydrophobicity  IC50  maximum concentration  mean residence time  metabolic stability  mouse  nonhuman  priority journal  protein structure  RNA replication  SARS coronavirus  Severe acute respiratory syndrome coronavirus 2  viral tropism  virus inhibition  Coronavirus  SARS coronavirus  
Structural basis for strand-transfer inhibitor binding to HIV intasomes 期刊论文
, 2020, 卷号: 367, 期号: 6479
作者:  Passos D.O.;  Li M.;  Jóźwik I.K.;  Zhao X.Z.;  Santos-Martins D.;  Yang R.;  Smith S.J.;  Jeon Y.;  Forli S.;  Hughes S.H.;  Burke T.R.;  Jr.;  Craigie R.;  Lyumkis D.
收藏  |  浏览/下载：16/0  |  提交时间：2020/07/28
bictegravir  nucleoprotein  protein intasome  unclassified drug  viral protein  bictegravir  fused heterocyclic rings  integrase  integrase inhibitor  multiprotein complex  naphthyridine derivative  nucleoprotein  biochemistry  chemical binding  human immunodeficiency virus  inhibitor  protein  ultrastructure  amino terminal sequence  Article  carboxy terminal sequence  catalysis  cryoelectron microscopy  drug design  drug efficacy  drug protein binding  drug resistance  drug structure  enzyme active site  human  Human immunodeficiency virus infection  nonhuman  priority journal  protein purification  protein structure  antiviral resistance  chemistry  drug effect  genetics  Human immunodeficiency virus  virus DNA cell DNA interaction  Cryoelectron Microscopy  Drug Design  Drug Resistance, Viral  Heterocyclic Compounds, 4 or More Rings  HIV  HIV Integrase  HIV Integrase Inhibitors  Humans  Multiprotein Complexes  Naphthyridines  Nucleoproteins  Virus Integration  
Structural basis of second-generation HIV integrase inhibitor action and viral resistance 期刊论文
, 2020, 卷号: 367, 期号: 6479
作者:  Cook N.J.;  Li W.;  Berta D.;  Badaoui M.;  Ballandras-Colas A.;  Nans A.;  Kotecha A.;  Rosta E.;  Engelman A.N.;  Cherepanov P.
收藏  |  浏览/下载：25/0  |  提交时间：2020/07/28
bictegravir  dolutegravir  lens epithelium derived growth factor  magnesium ion  bictegravir  dolutegravir  fused heterocyclic rings  glutamine  glycine  histidine  integrase  integrase inhibitor  magnesium  serine  acquired immune deficiency syndrome  amino acid  drug  human immunodeficiency virus  inhibitor  protein  ultrastructure  virus  amino acid substitution  amino terminal sequence  Article  carboxy terminal sequence  cryoelectron microscopy  DNA binding  drug design  drug protein binding  drug structure  enzyme active site  gene mutation  Human immunodeficiency virus 1  in vitro study  molecular dynamics  molecular stability  nonhuman  pharmacophore  polarization  priority journal  protonation  virus resistance  antiviral resistance  chemistry  genetics  human  mutation  procedures  single molecule imaging  Amino Acid Substitution  Catalytic Domain  Cryoelectron Microscopy  Drug Resistance, Viral  Glutamine  Glycine  Heterocyclic Compounds, 3-Ring  Heterocyclic Compounds, 4 or More Rings  Histidine  HIV Integrase  HIV Integrase Inhibitors  Humans  Magnesium  Mutation  Serine  Single Molecule Imaging