SrasV1, Main, Exploration, bibRecord, 004D70

Screening of electrophilic compounds yields an aziridinyl peptide as new active-site directed SARS-CoV main protease inhibitor

Identifieur interne : 004D70 ( Main/Exploration ); précédent : 004D69; suivant : 004D71

Screening of electrophilic compounds yields an aziridinyl peptide as new active-site directed SARS-CoV main protease inhibitor

Auteurs : Erika Martina [Allemagne] ; Nikolaus Stiefl [Allemagne] ; Björn Degel [Allemagne] ; Franziska Schulz [Allemagne] ; Alexander Breuning [Allemagne] ; Markus Schiller [Allemagne] ; Radim Vicik [Allemagne] ; Knut Baumann [Allemagne] ; John Ziebuhr [Allemagne] ; Tanja Schirmeister [Allemagne]

Source :

Bioorganic & medicinal chemistry letters : (Print) [ 0960-894X ] ; 2005.

RBID : Pascal:06-0169911

Descripteurs français

KwdFr :
- Aziridines (pharmacologie), Cysteine endopeptidases (métabolisme), Humains, Inhibiteurs de protéases (pharmacologie), Peptides (pharmacologie), Protéines virales (métabolisme), Sites de fixation, Syndrome respiratoire aigu sévère (traitement médicamenteux), Virus du SRAS ().
MESH :
- métabolisme : Cysteine endopeptidases, Protéines virales.
- pharmacologie : Aziridines, Inhibiteurs de protéases, Peptides.
- traitement médicamenteux : Syndrome respiratoire aigu sévère.
Pascal (Inist)
- Humains, Relation structure activité, Peptide, Site actif, Sites de fixation, Virus du SRAS, Virus syndrome respiratoire aigu sévère, Inhibiteur protease, Tripeptide, Peptidases, In vitro, Hétérocycle azote, Cycle 3 chaînons, Stéréoisomère trans, Stéréosélectivité, Modèle moléculaire, Complexe enzyme inhibiteur, Antiviral, Inhibiteur enzyme, Modélisation, Glycine(N-[(3-éthoxycarbonylazirdinyl)carbonyl]glycyl) ester benzyle, Aziridine-2,3-dicarboxylique acide dérivé.

English descriptors

KwdEn :
- Active site, Antiviral, Aziridines (pharmacology), Binding Sites, Cysteine Endopeptidases (metabolism), Enzyme inhibitor, Humans, In vitro, Inhibitor enzyme complex, Modeling, Molecular model, Nitrogen heterocycle, Peptidases, Peptides, Peptides (pharmacology), Protease Inhibitors (pharmacology), Protease inhibitor, SARS Virus (drug effects), Severe Acute Respiratory Syndrome (drug therapy), Severe acute respiratory syndrome virus, Stereoselectivity, Structure activity relation, Three membered ring, Trans stereoisomer, Tripeptide, Viral Proteins (metabolism).
MESH :
- chemical , metabolism : Cysteine Endopeptidases, Viral Proteins.
- chemical , pharmacology : Aziridines, Peptides, Protease Inhibitors.
- drug effects : SARS Virus.
- drug therapy : Severe Acute Respiratory Syndrome.
- Binding Sites, Humans.

Abstract

The coronavirus main protease, M^pro, is considered a major target for drugs suitable to combat coronavirus infections including the severe acute respiratory syndrome (SARS). In this study, comprehensive HPLC- and FRET-substrate-based screenings of various electrophilic compounds were performed to identify potential M^pro inhibitors. The data revealed that the coronaviral main protease is inhibited by aziridine- and oxirane-2-carboxylates. Among the trans-configured aziridine-2,3-dicarboxylates the Gly-Gly-containing peptide 2c was found to be the most potent inhibitor.

Affiliations:

Le document en format XML

<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en" level="a">Screening of electrophilic compounds yields an aziridinyl peptide as new active-site directed SARS-CoV main protease inhibitor</title>
<author><name sortKey="Martina, Erika" sort="Martina, Erika" uniqKey="Martina E" first="Erika" last="Martina">Erika Martina</name>
<affiliation wicri:level="3"><inist:fA14 i1="01"><s1>Institute of Pharmacy and Food Chemistry, Am Hubland, University of Würzburg</s1>
<s2>97074 Wurzburg</s2>
<s3>DEU</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
<sZ>4 aut.</sZ>
<sZ>5 aut.</sZ>
<sZ>6 aut.</sZ>
<sZ>7 aut.</sZ>
<sZ>8 aut.</sZ>
<sZ>10 aut.</sZ>
</inist:fA14>
<country>Allemagne</country>
<placeName><region type="land" nuts="1">Bavière</region>
<region type="district" nuts="2">District de Basse-Franconie</region>
<settlement type="city">Wurtzbourg</settlement>
</placeName>
</affiliation>
</author>
<author><name sortKey="Stiefl, Nikolaus" sort="Stiefl, Nikolaus" uniqKey="Stiefl N" first="Nikolaus" last="Stiefl">Nikolaus Stiefl</name>
<affiliation wicri:level="3"><inist:fA14 i1="01"><s1>Institute of Pharmacy and Food Chemistry, Am Hubland, University of Würzburg</s1>
<s2>97074 Wurzburg</s2>
<s3>DEU</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
<sZ>4 aut.</sZ>
<sZ>5 aut.</sZ>
<sZ>6 aut.</sZ>
<sZ>7 aut.</sZ>
<sZ>8 aut.</sZ>
<sZ>10 aut.</sZ>
</inist:fA14>
<country>Allemagne</country>
<placeName><region type="land" nuts="1">Bavière</region>
<region type="district" nuts="2">District de Basse-Franconie</region>
<settlement type="city">Wurtzbourg</settlement>
</placeName>
</affiliation>
</author>
<author><name sortKey="Degel, Bjorn" sort="Degel, Bjorn" uniqKey="Degel B" first="Björn" last="Degel">Björn Degel</name>
<affiliation wicri:level="3"><inist:fA14 i1="01"><s1>Institute of Pharmacy and Food Chemistry, Am Hubland, University of Würzburg</s1>
<s2>97074 Wurzburg</s2>
<s3>DEU</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
<sZ>4 aut.</sZ>
<sZ>5 aut.</sZ>
<sZ>6 aut.</sZ>
<sZ>7 aut.</sZ>
<sZ>8 aut.</sZ>
<sZ>10 aut.</sZ>
</inist:fA14>
<country>Allemagne</country>
<placeName><region type="land" nuts="1">Bavière</region>
<region type="district" nuts="2">District de Basse-Franconie</region>
<settlement type="city">Wurtzbourg</settlement>
</placeName>
</affiliation>
</author>
<author><name sortKey="Schulz, Franziska" sort="Schulz, Franziska" uniqKey="Schulz F" first="Franziska" last="Schulz">Franziska Schulz</name>
<affiliation wicri:level="3"><inist:fA14 i1="01"><s1>Institute of Pharmacy and Food Chemistry, Am Hubland, University of Würzburg</s1>
<s2>97074 Wurzburg</s2>
<s3>DEU</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
<sZ>4 aut.</sZ>
<sZ>5 aut.</sZ>
<sZ>6 aut.</sZ>
<sZ>7 aut.</sZ>
<sZ>8 aut.</sZ>
<sZ>10 aut.</sZ>
</inist:fA14>
<country>Allemagne</country>
<placeName><region type="land" nuts="1">Bavière</region>
<region type="district" nuts="2">District de Basse-Franconie</region>
<settlement type="city">Wurtzbourg</settlement>
</placeName>
</affiliation>
</author>
<author><name sortKey="Breuning, Alexander" sort="Breuning, Alexander" uniqKey="Breuning A" first="Alexander" last="Breuning">Alexander Breuning</name>
<affiliation wicri:level="3"><inist:fA14 i1="01"><s1>Institute of Pharmacy and Food Chemistry, Am Hubland, University of Würzburg</s1>
<s2>97074 Wurzburg</s2>
<s3>DEU</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
<sZ>4 aut.</sZ>
<sZ>5 aut.</sZ>
<sZ>6 aut.</sZ>
<sZ>7 aut.</sZ>
<sZ>8 aut.</sZ>
<sZ>10 aut.</sZ>
</inist:fA14>
<country>Allemagne</country>
<placeName><region type="land" nuts="1">Bavière</region>
<region type="district" nuts="2">District de Basse-Franconie</region>
<settlement type="city">Wurtzbourg</settlement>
</placeName>
</affiliation>
</author>
<author><name sortKey="Schiller, Markus" sort="Schiller, Markus" uniqKey="Schiller M" first="Markus" last="Schiller">Markus Schiller</name>
<affiliation wicri:level="3"><inist:fA14 i1="01"><s1>Institute of Pharmacy and Food Chemistry, Am Hubland, University of Würzburg</s1>
<s2>97074 Wurzburg</s2>
<s3>DEU</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
<sZ>4 aut.</sZ>
<sZ>5 aut.</sZ>
<sZ>6 aut.</sZ>
<sZ>7 aut.</sZ>
<sZ>8 aut.</sZ>
<sZ>10 aut.</sZ>
</inist:fA14>
<country>Allemagne</country>
<placeName><region type="land" nuts="1">Bavière</region>
<region type="district" nuts="2">District de Basse-Franconie</region>
<settlement type="city">Wurtzbourg</settlement>
</placeName>
</affiliation>
</author>
<author><name sortKey="Vicik, Radim" sort="Vicik, Radim" uniqKey="Vicik R" first="Radim" last="Vicik">Radim Vicik</name>
<affiliation wicri:level="3"><inist:fA14 i1="01"><s1>Institute of Pharmacy and Food Chemistry, Am Hubland, University of Würzburg</s1>
<s2>97074 Wurzburg</s2>
<s3>DEU</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
<sZ>4 aut.</sZ>
<sZ>5 aut.</sZ>
<sZ>6 aut.</sZ>
<sZ>7 aut.</sZ>
<sZ>8 aut.</sZ>
<sZ>10 aut.</sZ>
</inist:fA14>
<country>Allemagne</country>
<placeName><region type="land" nuts="1">Bavière</region>
<region type="district" nuts="2">District de Basse-Franconie</region>
<settlement type="city">Wurtzbourg</settlement>
</placeName>
</affiliation>
</author>
<author><name sortKey="Baumann, Knut" sort="Baumann, Knut" uniqKey="Baumann K" first="Knut" last="Baumann">Knut Baumann</name>
<affiliation wicri:level="3"><inist:fA14 i1="01"><s1>Institute of Pharmacy and Food Chemistry, Am Hubland, University of Würzburg</s1>
<s2>97074 Wurzburg</s2>
<s3>DEU</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
<sZ>4 aut.</sZ>
<sZ>5 aut.</sZ>
<sZ>6 aut.</sZ>
<sZ>7 aut.</sZ>
<sZ>8 aut.</sZ>
<sZ>10 aut.</sZ>
</inist:fA14>
<country>Allemagne</country>
<placeName><region type="land" nuts="1">Bavière</region>
<region type="district" nuts="2">District de Basse-Franconie</region>
<settlement type="city">Wurtzbourg</settlement>
</placeName>
</affiliation>
</author>
<author><name sortKey="Ziebuhr, John" sort="Ziebuhr, John" uniqKey="Ziebuhr J" first="John" last="Ziebuhr">John Ziebuhr</name>
<affiliation wicri:level="3"><inist:fA14 i1="02"><s1>Institute of Virology and Immunology, Versbacher Street 7, University of Würzburg</s1>
<s2>97078 Wurzburg</s2>
<s3>DEU</s3>
<sZ>9 aut.</sZ>
</inist:fA14>
<country>Allemagne</country>
<placeName><region type="land" nuts="1">Bavière</region>
<region type="district" nuts="2">District de Basse-Franconie</region>
<settlement type="city">Wurtzbourg</settlement>
</placeName>
</affiliation>
</author>
<author><name sortKey="Schirmeister, Tanja" sort="Schirmeister, Tanja" uniqKey="Schirmeister T" first="Tanja" last="Schirmeister">Tanja Schirmeister</name>
<affiliation wicri:level="3"><inist:fA14 i1="01"><s1>Institute of Pharmacy and Food Chemistry, Am Hubland, University of Würzburg</s1>
<s2>97074 Wurzburg</s2>
<s3>DEU</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
<sZ>4 aut.</sZ>
<sZ>5 aut.</sZ>
<sZ>6 aut.</sZ>
<sZ>7 aut.</sZ>
<sZ>8 aut.</sZ>
<sZ>10 aut.</sZ>
</inist:fA14>
<country>Allemagne</country>
<placeName><region type="land" nuts="1">Bavière</region>
<region type="district" nuts="2">District de Basse-Franconie</region>
<settlement type="city">Wurtzbourg</settlement>
</placeName>
</affiliation>
</author>
</titleStmt>
<publicationStmt><idno type="wicri:source">INIST</idno>
<idno type="inist">06-0169911</idno>
<date when="2005">2005</date>
<idno type="stanalyst">PASCAL 06-0169911 INIST</idno>
<idno type="RBID">Pascal:06-0169911</idno>
<idno type="wicri:Area/PascalFrancis/Corpus">000535</idno>
<idno type="wicri:Area/PascalFrancis/Curation">000455</idno>
<idno type="wicri:Area/PascalFrancis/Checkpoint">000581</idno>
<idno type="wicri:explorRef" wicri:stream="PascalFrancis" wicri:step="Checkpoint">000581</idno>
<idno type="wicri:doubleKey">0960-894X:2005:Martina E:screening:of:electrophilic</idno>
<idno type="wicri:Area/Main/Merge">005101</idno>
<idno type="wicri:source">PubMed</idno>
<idno type="RBID">pubmed:16216498</idno>
<idno type="wicri:Area/PubMed/Corpus">002507</idno>
<idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Corpus" wicri:corpus="PubMed">002507</idno>
<idno type="wicri:Area/PubMed/Curation">002507</idno>
<idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Curation">002507</idno>
<idno type="wicri:Area/PubMed/Checkpoint">002504</idno>
<idno type="wicri:explorRef" wicri:stream="Checkpoint" wicri:step="PubMed">002504</idno>
<idno type="wicri:Area/Ncbi/Merge">001198</idno>
<idno type="wicri:Area/Ncbi/Curation">001198</idno>
<idno type="wicri:Area/Ncbi/Checkpoint">001198</idno>
<idno type="wicri:doubleKey">0960-894X:2005:Martina E:screening:of:electrophilic</idno>
<idno type="wicri:Area/Main/Merge">004909</idno>
<idno type="wicri:Area/Main/Curation">004D70</idno>
<idno type="wicri:Area/Main/Exploration">004D70</idno>
</publicationStmt>
<sourceDesc><biblStruct><analytic><title xml:lang="en" level="a">Screening of electrophilic compounds yields an aziridinyl peptide as new active-site directed SARS-CoV main protease inhibitor</title>
<author><name sortKey="Martina, Erika" sort="Martina, Erika" uniqKey="Martina E" first="Erika" last="Martina">Erika Martina</name>
<affiliation wicri:level="3"><inist:fA14 i1="01"><s1>Institute of Pharmacy and Food Chemistry, Am Hubland, University of Würzburg</s1>
<s2>97074 Wurzburg</s2>
<s3>DEU</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
<sZ>4 aut.</sZ>
<sZ>5 aut.</sZ>
<sZ>6 aut.</sZ>
<sZ>7 aut.</sZ>
<sZ>8 aut.</sZ>
<sZ>10 aut.</sZ>
</inist:fA14>
<country>Allemagne</country>
<placeName><region type="land" nuts="1">Bavière</region>
<region type="district" nuts="2">District de Basse-Franconie</region>
<settlement type="city">Wurtzbourg</settlement>
</placeName>
</affiliation>
</author>
<author><name sortKey="Stiefl, Nikolaus" sort="Stiefl, Nikolaus" uniqKey="Stiefl N" first="Nikolaus" last="Stiefl">Nikolaus Stiefl</name>
<affiliation wicri:level="3"><inist:fA14 i1="01"><s1>Institute of Pharmacy and Food Chemistry, Am Hubland, University of Würzburg</s1>
<s2>97074 Wurzburg</s2>
<s3>DEU</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
<sZ>4 aut.</sZ>
<sZ>5 aut.</sZ>
<sZ>6 aut.</sZ>
<sZ>7 aut.</sZ>
<sZ>8 aut.</sZ>
<sZ>10 aut.</sZ>
</inist:fA14>
<country>Allemagne</country>
<placeName><region type="land" nuts="1">Bavière</region>
<region type="district" nuts="2">District de Basse-Franconie</region>
<settlement type="city">Wurtzbourg</settlement>
</placeName>
</affiliation>
</author>
<author><name sortKey="Degel, Bjorn" sort="Degel, Bjorn" uniqKey="Degel B" first="Björn" last="Degel">Björn Degel</name>
<affiliation wicri:level="3"><inist:fA14 i1="01"><s1>Institute of Pharmacy and Food Chemistry, Am Hubland, University of Würzburg</s1>
<s2>97074 Wurzburg</s2>
<s3>DEU</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
<sZ>4 aut.</sZ>
<sZ>5 aut.</sZ>
<sZ>6 aut.</sZ>
<sZ>7 aut.</sZ>
<sZ>8 aut.</sZ>
<sZ>10 aut.</sZ>
</inist:fA14>
<country>Allemagne</country>
<placeName><region type="land" nuts="1">Bavière</region>
<region type="district" nuts="2">District de Basse-Franconie</region>
<settlement type="city">Wurtzbourg</settlement>
</placeName>
</affiliation>
</author>
<author><name sortKey="Schulz, Franziska" sort="Schulz, Franziska" uniqKey="Schulz F" first="Franziska" last="Schulz">Franziska Schulz</name>
<affiliation wicri:level="3"><inist:fA14 i1="01"><s1>Institute of Pharmacy and Food Chemistry, Am Hubland, University of Würzburg</s1>
<s2>97074 Wurzburg</s2>
<s3>DEU</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
<sZ>4 aut.</sZ>
<sZ>5 aut.</sZ>
<sZ>6 aut.</sZ>
<sZ>7 aut.</sZ>
<sZ>8 aut.</sZ>
<sZ>10 aut.</sZ>
</inist:fA14>
<country>Allemagne</country>
<placeName><region type="land" nuts="1">Bavière</region>
<region type="district" nuts="2">District de Basse-Franconie</region>
<settlement type="city">Wurtzbourg</settlement>
</placeName>
</affiliation>
</author>
<author><name sortKey="Breuning, Alexander" sort="Breuning, Alexander" uniqKey="Breuning A" first="Alexander" last="Breuning">Alexander Breuning</name>
<affiliation wicri:level="3"><inist:fA14 i1="01"><s1>Institute of Pharmacy and Food Chemistry, Am Hubland, University of Würzburg</s1>
<s2>97074 Wurzburg</s2>
<s3>DEU</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
<sZ>4 aut.</sZ>
<sZ>5 aut.</sZ>
<sZ>6 aut.</sZ>
<sZ>7 aut.</sZ>
<sZ>8 aut.</sZ>
<sZ>10 aut.</sZ>
</inist:fA14>
<country>Allemagne</country>
<placeName><region type="land" nuts="1">Bavière</region>
<region type="district" nuts="2">District de Basse-Franconie</region>
<settlement type="city">Wurtzbourg</settlement>
</placeName>
</affiliation>
</author>
<author><name sortKey="Schiller, Markus" sort="Schiller, Markus" uniqKey="Schiller M" first="Markus" last="Schiller">Markus Schiller</name>
<affiliation wicri:level="3"><inist:fA14 i1="01"><s1>Institute of Pharmacy and Food Chemistry, Am Hubland, University of Würzburg</s1>
<s2>97074 Wurzburg</s2>
<s3>DEU</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
<sZ>4 aut.</sZ>
<sZ>5 aut.</sZ>
<sZ>6 aut.</sZ>
<sZ>7 aut.</sZ>
<sZ>8 aut.</sZ>
<sZ>10 aut.</sZ>
</inist:fA14>
<country>Allemagne</country>
<placeName><region type="land" nuts="1">Bavière</region>
<region type="district" nuts="2">District de Basse-Franconie</region>
<settlement type="city">Wurtzbourg</settlement>
</placeName>
</affiliation>
</author>
<author><name sortKey="Vicik, Radim" sort="Vicik, Radim" uniqKey="Vicik R" first="Radim" last="Vicik">Radim Vicik</name>
<affiliation wicri:level="3"><inist:fA14 i1="01"><s1>Institute of Pharmacy and Food Chemistry, Am Hubland, University of Würzburg</s1>
<s2>97074 Wurzburg</s2>
<s3>DEU</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
<sZ>4 aut.</sZ>
<sZ>5 aut.</sZ>
<sZ>6 aut.</sZ>
<sZ>7 aut.</sZ>
<sZ>8 aut.</sZ>
<sZ>10 aut.</sZ>
</inist:fA14>
<country>Allemagne</country>
<placeName><region type="land" nuts="1">Bavière</region>
<region type="district" nuts="2">District de Basse-Franconie</region>
<settlement type="city">Wurtzbourg</settlement>
</placeName>
</affiliation>
</author>
<author><name sortKey="Baumann, Knut" sort="Baumann, Knut" uniqKey="Baumann K" first="Knut" last="Baumann">Knut Baumann</name>
<affiliation wicri:level="3"><inist:fA14 i1="01"><s1>Institute of Pharmacy and Food Chemistry, Am Hubland, University of Würzburg</s1>
<s2>97074 Wurzburg</s2>
<s3>DEU</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
<sZ>4 aut.</sZ>
<sZ>5 aut.</sZ>
<sZ>6 aut.</sZ>
<sZ>7 aut.</sZ>
<sZ>8 aut.</sZ>
<sZ>10 aut.</sZ>
</inist:fA14>
<country>Allemagne</country>
<placeName><region type="land" nuts="1">Bavière</region>
<region type="district" nuts="2">District de Basse-Franconie</region>
<settlement type="city">Wurtzbourg</settlement>
</placeName>
</affiliation>
</author>
<author><name sortKey="Ziebuhr, John" sort="Ziebuhr, John" uniqKey="Ziebuhr J" first="John" last="Ziebuhr">John Ziebuhr</name>
<affiliation wicri:level="3"><inist:fA14 i1="02"><s1>Institute of Virology and Immunology, Versbacher Street 7, University of Würzburg</s1>
<s2>97078 Wurzburg</s2>
<s3>DEU</s3>
<sZ>9 aut.</sZ>
</inist:fA14>
<country>Allemagne</country>
<placeName><region type="land" nuts="1">Bavière</region>
<region type="district" nuts="2">District de Basse-Franconie</region>
<settlement type="city">Wurtzbourg</settlement>
</placeName>
</affiliation>
</author>
<author><name sortKey="Schirmeister, Tanja" sort="Schirmeister, Tanja" uniqKey="Schirmeister T" first="Tanja" last="Schirmeister">Tanja Schirmeister</name>
<affiliation wicri:level="3"><inist:fA14 i1="01"><s1>Institute of Pharmacy and Food Chemistry, Am Hubland, University of Würzburg</s1>
<s2>97074 Wurzburg</s2>
<s3>DEU</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
<sZ>4 aut.</sZ>
<sZ>5 aut.</sZ>
<sZ>6 aut.</sZ>
<sZ>7 aut.</sZ>
<sZ>8 aut.</sZ>
<sZ>10 aut.</sZ>
</inist:fA14>
<country>Allemagne</country>
<placeName><region type="land" nuts="1">Bavière</region>
<region type="district" nuts="2">District de Basse-Franconie</region>
<settlement type="city">Wurtzbourg</settlement>
</placeName>
</affiliation>
</author>
</analytic>
<series><title level="j" type="main">Bioorganic & medicinal chemistry letters : (Print)</title>
<title level="j" type="abbreviated">Bioorg. med. chem. lett. : (Print)</title>
<idno type="ISSN">0960-894X</idno>
<imprint><date when="2005">2005</date>
</imprint>
</series>
</biblStruct>
</sourceDesc>
<seriesStmt><title level="j" type="main">Bioorganic & medicinal chemistry letters : (Print)</title>
<title level="j" type="abbreviated">Bioorg. med. chem. lett. : (Print)</title>
<idno type="ISSN">0960-894X</idno>
</seriesStmt>
</fileDesc>
<profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Active site</term>
<term>Antiviral</term>
<term>Aziridines (pharmacology)</term>
<term>Binding Sites</term>
<term>Cysteine Endopeptidases (metabolism)</term>
<term>Enzyme inhibitor</term>
<term>Humans</term>
<term>In vitro</term>
<term>Inhibitor enzyme complex</term>
<term>Modeling</term>
<term>Molecular model</term>
<term>Nitrogen heterocycle</term>
<term>Peptidases</term>
<term>Peptides</term>
<term>Peptides (pharmacology)</term>
<term>Protease Inhibitors (pharmacology)</term>
<term>Protease inhibitor</term>
<term>SARS Virus (drug effects)</term>
<term>Severe Acute Respiratory Syndrome (drug therapy)</term>
<term>Severe acute respiratory syndrome virus</term>
<term>Stereoselectivity</term>
<term>Structure activity relation</term>
<term>Three membered ring</term>
<term>Trans stereoisomer</term>
<term>Tripeptide</term>
<term>Viral Proteins (metabolism)</term>
</keywords>
<keywords scheme="KwdFr" xml:lang="fr"><term>Aziridines (pharmacologie)</term>
<term>Cysteine endopeptidases (métabolisme)</term>
<term>Humains</term>
<term>Inhibiteurs de protéases (pharmacologie)</term>
<term>Peptides (pharmacologie)</term>
<term>Protéines virales (métabolisme)</term>
<term>Sites de fixation</term>
<term>Syndrome respiratoire aigu sévère (traitement médicamenteux)</term>
<term>Virus du SRAS ()</term>
</keywords>
<keywords scheme="MESH" type="chemical" qualifier="metabolism" xml:lang="en"><term>Cysteine Endopeptidases</term>
<term>Viral Proteins</term>
</keywords>
<keywords scheme="MESH" type="chemical" qualifier="pharmacology" xml:lang="en"><term>Aziridines</term>
<term>Peptides</term>
<term>Protease Inhibitors</term>
</keywords>
<keywords scheme="MESH" qualifier="drug effects" xml:lang="en"><term>SARS Virus</term>
</keywords>
<keywords scheme="MESH" qualifier="drug therapy" xml:lang="en"><term>Severe Acute Respiratory Syndrome</term>
</keywords>
<keywords scheme="MESH" qualifier="métabolisme" xml:lang="fr"><term>Cysteine endopeptidases</term>
<term>Protéines virales</term>
</keywords>
<keywords scheme="MESH" qualifier="pharmacologie" xml:lang="fr"><term>Aziridines</term>
<term>Inhibiteurs de protéases</term>
<term>Peptides</term>
</keywords>
<keywords scheme="MESH" qualifier="traitement médicamenteux" xml:lang="fr"><term>Syndrome respiratoire aigu sévère</term>
</keywords>
<keywords scheme="MESH" xml:lang="en"><term>Binding Sites</term>
<term>Humans</term>
</keywords>
<keywords scheme="Pascal" xml:lang="fr"><term>Humains</term>
<term>Relation structure activité</term>
<term>Peptide</term>
<term>Site actif</term>
<term>Sites de fixation</term>
<term>Virus du SRAS</term>
<term>Virus syndrome respiratoire aigu sévère</term>
<term>Inhibiteur protease</term>
<term>Tripeptide</term>
<term>Peptidases</term>
<term>In vitro</term>
<term>Hétérocycle azote</term>
<term>Cycle 3 chaînons</term>
<term>Stéréoisomère trans</term>
<term>Stéréosélectivité</term>
<term>Modèle moléculaire</term>
<term>Complexe enzyme inhibiteur</term>
<term>Antiviral</term>
<term>Inhibiteur enzyme</term>
<term>Modélisation</term>
<term>Glycine(N-[(3-éthoxycarbonylazirdinyl)carbonyl]glycyl) ester benzyle</term>
<term>Aziridine-2,3-dicarboxylique acide dérivé</term>
</keywords>
</textClass>
</profileDesc>
</teiHeader>
<front><div type="abstract" xml:lang="en">The coronavirus main protease, M<sup>pro</sup>
, is considered a major target for drugs suitable to combat coronavirus infections including the severe acute respiratory syndrome (SARS). In this study, comprehensive HPLC- and FRET-substrate-based screenings of various electrophilic compounds were performed to identify potential M<sup>pro</sup>
 inhibitors. The data revealed that the coronaviral main protease is inhibited by aziridine- and oxirane-2-carboxylates. Among the trans-configured aziridine-2,3-dicarboxylates the Gly-Gly-containing peptide 2c was found to be the most potent inhibitor.</div>
</front>
</TEI>
<affiliations><list><country><li>Allemagne</li>
</country>
<region><li>Bavière</li>
<li>District de Basse-Franconie</li>
</region>
<settlement><li>Wurtzbourg</li>
</settlement>
</list>
<tree><country name="Allemagne"><region name="Bavière"><name sortKey="Martina, Erika" sort="Martina, Erika" uniqKey="Martina E" first="Erika" last="Martina">Erika Martina</name>
</region>
<name sortKey="Baumann, Knut" sort="Baumann, Knut" uniqKey="Baumann K" first="Knut" last="Baumann">Knut Baumann</name>
<name sortKey="Breuning, Alexander" sort="Breuning, Alexander" uniqKey="Breuning A" first="Alexander" last="Breuning">Alexander Breuning</name>
<name sortKey="Degel, Bjorn" sort="Degel, Bjorn" uniqKey="Degel B" first="Björn" last="Degel">Björn Degel</name>
<name sortKey="Schiller, Markus" sort="Schiller, Markus" uniqKey="Schiller M" first="Markus" last="Schiller">Markus Schiller</name>
<name sortKey="Schirmeister, Tanja" sort="Schirmeister, Tanja" uniqKey="Schirmeister T" first="Tanja" last="Schirmeister">Tanja Schirmeister</name>
<name sortKey="Schulz, Franziska" sort="Schulz, Franziska" uniqKey="Schulz F" first="Franziska" last="Schulz">Franziska Schulz</name>
<name sortKey="Stiefl, Nikolaus" sort="Stiefl, Nikolaus" uniqKey="Stiefl N" first="Nikolaus" last="Stiefl">Nikolaus Stiefl</name>
<name sortKey="Vicik, Radim" sort="Vicik, Radim" uniqKey="Vicik R" first="Radim" last="Vicik">Radim Vicik</name>
<name sortKey="Ziebuhr, John" sort="Ziebuhr, John" uniqKey="Ziebuhr J" first="John" last="Ziebuhr">John Ziebuhr</name>
</country>
</tree>
</affiliations>
</record>

Pour manipuler ce document sous Unix (Dilib)

EXPLOR_STEP=$WICRI_ROOT/Sante/explor/SrasV1/Data/Main/Exploration

HfdSelect -h $EXPLOR_STEP/biblio.hfd -nk 004D70 | SxmlIndent | more

HfdSelect -h $EXPLOR_AREA/Data/Main/Exploration/biblio.hfd -nk 004D70 | SxmlIndent | more

Pour mettre un lien sur cette page dans le réseau Wicri

{{Explor lien
   |wiki=    Sante
   |area=    SrasV1
   |flux=    Main
   |étape=   Exploration
   |type=    RBID
   |clé=     Pascal:06-0169911
   |texte=   Screening of electrophilic compounds yields an aziridinyl peptide as new active-site directed SARS-CoV main protease inhibitor
}}

This area was generated with Dilib version V0.6.33.
Data generation: Tue Apr 28 14:49:16 2020. Site generation: Sat Mar 27 22:06:49 2021

Serveur d'exploration SRAS

Screening of electrophilic compounds yields an aziridinyl peptide as new active-site directed SARS-CoV main protease inhibitor

Screening of electrophilic compounds yields an aziridinyl peptide as new active-site directed SARS-CoV main protease inhibitor

Source :

Descripteurs français

English descriptors

Abstract

Links toward previous steps (curation, corpus...)

Le document en format XML

Pour manipuler ce document sous Unix (Dilib)

Pour mettre un lien sur cette page dans le réseau Wicri

	Serveur d'exploration SRAS
	Attention, ce site est en cours de développement ! Attention, site généré par des moyens informatiques à partir de corpus bruts. Les informations ne sont donc pas validées.