SrasV1, PascalFrancis, Curation, bibRecord, 000455

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

Identifieur interne : 000455 ( PascalFrancis/Curation ); précédent : 000454; suivant : 000456

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

Pascal (Inist)
- Relation structure activité, Peptide, Site actif, 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, Enzyme inhibitor, In vitro, Inhibitor enzyme complex, Modeling, Molecular model, Nitrogen heterocycle, Peptidases, Peptides, Protease inhibitor, Severe acute respiratory syndrome virus, Stereoselectivity, Structure activity relation, Three membered ring, Trans stereoisomer, Tripeptide.

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.

A01	`01`	`1`		`@0 0960-894X`
A03		`1`		`@0 Bioorg. med. chem. lett. : (Print)`
A05				`@2 15`
A06				`@2 24`
A08	`01`	`1`	`ENG`	`@1 Screening of electrophilic compounds yields an aziridinyl peptide as new active-site directed SARS-CoV main protease inhibitor`
A11	`01`	`1`		`@1 MARTINA (Erika)`
A11	`02`	`1`		`@1 STIEFL (Nikolaus)`
A11	`03`	`1`		`@1 DEGEL (Björn)`
A11	`04`	`1`		`@1 SCHULZ (Franziska)`
A11	`05`	`1`		`@1 BREUNING (Alexander)`
A11	`06`	`1`		`@1 SCHILLER (Markus)`
A11	`07`	`1`		`@1 VICIK (Radim)`
A11	`08`	`1`		`@1 BAUMANN (Knut)`
A11	`09`	`1`		`@1 ZIEBUHR (John)`
A11	`10`	`1`		`@1 SCHIRMEISTER (Tanja)`
A14	`01`			`@1 Institute of Pharmacy and Food Chemistry, Am Hubland, University of Würzburg @2 97074 Wurzburg @3 DEU @Z 1 aut. @Z 2 aut. @Z 3 aut. @Z 4 aut. @Z 5 aut. @Z 6 aut. @Z 7 aut. @Z 8 aut. @Z 10 aut.`
A14	`02`			`@1 Institute of Virology and Immunology, Versbacher Street 7, University of Würzburg @2 97078 Wurzburg @3 DEU @Z 9 aut.`
A20				`@1 5365-5369`
A21				`@1 2005`
A23	`01`			`@0 ENG`
A43	`01`			`@1 INIST @2 22446 @5 354000135654040010`
A44				`@0 0000 @1 © 2006 INIST-CNRS. All rights reserved.`
A45				`@0 40 ref.`
A47	`01`	`1`		`@0 06-0169911`
A60				`@1 P`
A61				`@0 A`
A64	`01`	`1`		`@0 Bioorganic & medicinal chemistry letters : (Print)`
A66	`01`			`@0 GBR`
C01	`01`		`ENG`	@0 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.
C02	`01`	`X`		`@0 002B02S05`
C03	`01`	`X`	`FRE`	`@0 Relation structure activité @5 01`
C03	`01`	`X`	`ENG`	`@0 Structure activity relation @5 01`
C03	`01`	`X`	`SPA`	`@0 Relación estructura actividad @5 01`
C03	`02`	`X`	`FRE`	`@0 Peptide @5 03`
C03	`02`	`X`	`ENG`	`@0 Peptides @5 03`
C03	`02`	`X`	`SPA`	`@0 Péptido @5 03`
C03	`03`	`X`	`FRE`	`@0 Site actif @5 04`
C03	`03`	`X`	`ENG`	`@0 Active site @5 04`
C03	`03`	`X`	`SPA`	`@0 Lugar activo @5 04`
C03	`04`	`X`	`FRE`	`@0 Virus syndrome respiratoire aigu sévère @2 NW @5 05`
C03	`04`	`X`	`ENG`	`@0 Severe acute respiratory syndrome virus @2 NW @5 05`
C03	`04`	`X`	`SPA`	`@0 Severe acute respiratory syndrome virus @2 NW @5 05`
C03	`05`	`X`	`FRE`	`@0 Inhibiteur protease @2 FR @5 06`
C03	`05`	`X`	`ENG`	`@0 Protease inhibitor @2 FR @5 06`
C03	`05`	`X`	`SPA`	`@0 Inhibidor proteasa @2 FR @5 06`
C03	`06`	`X`	`FRE`	`@0 Tripeptide @5 07`
C03	`06`	`X`	`ENG`	`@0 Tripeptide @5 07`
C03	`06`	`X`	`SPA`	`@0 Tripéptido @5 07`
C03	`07`	`X`	`FRE`	`@0 Peptidases @2 FE @5 08`
C03	`07`	`X`	`ENG`	`@0 Peptidases @2 FE @5 08`
C03	`07`	`X`	`SPA`	`@0 Peptidases @2 FE @5 08`
C03	`08`	`X`	`FRE`	`@0 In vitro @5 09`
C03	`08`	`X`	`ENG`	`@0 In vitro @5 09`
C03	`08`	`X`	`SPA`	`@0 In vitro @5 09`
C03	`09`	`X`	`FRE`	`@0 Hétérocycle azote @5 10`
C03	`09`	`X`	`ENG`	`@0 Nitrogen heterocycle @5 10`
C03	`09`	`X`	`SPA`	`@0 Heterociclo nitrógeno @5 10`
C03	`10`	`X`	`FRE`	`@0 Cycle 3 chaînons @5 11`
C03	`10`	`X`	`ENG`	`@0 Three membered ring @5 11`
C03	`10`	`X`	`SPA`	`@0 Ciclo 3 eslabones @5 11`
C03	`11`	`X`	`FRE`	`@0 Stéréoisomère trans @5 12`
C03	`11`	`X`	`ENG`	`@0 Trans stereoisomer @5 12`
C03	`11`	`X`	`SPA`	`@0 Estereoisómero trans @5 12`
C03	`12`	`X`	`FRE`	`@0 Stéréosélectivité @5 13`
C03	`12`	`X`	`ENG`	`@0 Stereoselectivity @5 13`
C03	`12`	`X`	`SPA`	`@0 Estereoselectividad @5 13`
C03	`13`	`X`	`FRE`	`@0 Modèle moléculaire @5 14`
C03	`13`	`X`	`ENG`	`@0 Molecular model @5 14`
C03	`13`	`X`	`SPA`	`@0 Modelo molecular @5 14`
C03	`14`	`X`	`FRE`	`@0 Complexe enzyme inhibiteur @5 15`
C03	`14`	`X`	`ENG`	`@0 Inhibitor enzyme complex @5 15`
C03	`14`	`X`	`SPA`	`@0 Complejo enzima inhibidor @5 15`
C03	`15`	`X`	`FRE`	`@0 Antiviral @5 16`
C03	`15`	`X`	`ENG`	`@0 Antiviral @5 16`
C03	`15`	`X`	`SPA`	`@0 Antiviral @5 16`
C03	`16`	`X`	`FRE`	`@0 Inhibiteur enzyme @5 32`
C03	`16`	`X`	`ENG`	`@0 Enzyme inhibitor @5 32`
C03	`16`	`X`	`SPA`	`@0 Inhibidor enzima @5 32`
C03	`17`	`X`	`FRE`	`@0 Modélisation @5 33`
C03	`17`	`X`	`ENG`	`@0 Modeling @5 33`
C03	`17`	`X`	`SPA`	`@0 Modelización @5 33`
C03	`18`	`X`	`FRE`	`@0 Glycine(N-[(3-éthoxycarbonylazirdinyl)carbonyl]glycyl) ester benzyle @2 NK @2 FR @4 INC @5 76`
C03	`19`	`X`	`FRE`	`@0 Aziridine-2,3-dicarboxylique acide dérivé @2 NK @4 INC @5 77`
C07	`01`	`X`	`FRE`	`@0 Coronavirus @2 NW`
C07	`01`	`X`	`ENG`	`@0 Coronavirus @2 NW`
C07	`01`	`X`	`SPA`	`@0 Coronavirus @2 NW`
C07	`02`	`X`	`FRE`	`@0 Coronaviridae @2 NW`
C07	`02`	`X`	`ENG`	`@0 Coronaviridae @2 NW`
C07	`02`	`X`	`SPA`	`@0 Coronaviridae @2 NW`
C07	`03`	`X`	`FRE`	`@0 Nidovirales @2 NW`
C07	`03`	`X`	`ENG`	`@0 Nidovirales @2 NW`
C07	`03`	`X`	`SPA`	`@0 Nidovirales @2 NW`
C07	`04`	`X`	`FRE`	`@0 Virus @2 NW`
C07	`04`	`X`	`ENG`	`@0 Virus @2 NW`
C07	`04`	`X`	`SPA`	`@0 Virus @2 NW`
C07	`05`	`X`	`FRE`	`@0 Hydrolases @2 FE`
C07	`05`	`X`	`ENG`	`@0 Hydrolases @2 FE`
C07	`05`	`X`	`SPA`	`@0 Hydrolases @2 FE`
C07	`06`	`X`	`FRE`	`@0 Enzyme @2 FE`
C07	`06`	`X`	`ENG`	`@0 Enzyme @2 FE`
C07	`06`	`X`	`SPA`	`@0 Enzima @2 FE`
N21				`@1 100`

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

to stream PascalFrancis, to step Corpus: Pour aller vers cette notice dans l'étape Curation :000535

Links to Exploration step

Pascal:06-0169911

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="1"><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>
</affiliation>
</author>
<author><name sortKey="Stiefl, Nikolaus" sort="Stiefl, Nikolaus" uniqKey="Stiefl N" first="Nikolaus" last="Stiefl">Nikolaus Stiefl</name>
<affiliation wicri:level="1"><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>
</affiliation>
</author>
<author><name sortKey="Degel, Bjorn" sort="Degel, Bjorn" uniqKey="Degel B" first="Björn" last="Degel">Björn Degel</name>
<affiliation wicri:level="1"><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>
</affiliation>
</author>
<author><name sortKey="Schulz, Franziska" sort="Schulz, Franziska" uniqKey="Schulz F" first="Franziska" last="Schulz">Franziska Schulz</name>
<affiliation wicri:level="1"><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>
</affiliation>
</author>
<author><name sortKey="Breuning, Alexander" sort="Breuning, Alexander" uniqKey="Breuning A" first="Alexander" last="Breuning">Alexander Breuning</name>
<affiliation wicri:level="1"><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>
</affiliation>
</author>
<author><name sortKey="Schiller, Markus" sort="Schiller, Markus" uniqKey="Schiller M" first="Markus" last="Schiller">Markus Schiller</name>
<affiliation wicri:level="1"><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>
</affiliation>
</author>
<author><name sortKey="Vicik, Radim" sort="Vicik, Radim" uniqKey="Vicik R" first="Radim" last="Vicik">Radim Vicik</name>
<affiliation wicri:level="1"><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>
</affiliation>
</author>
<author><name sortKey="Baumann, Knut" sort="Baumann, Knut" uniqKey="Baumann K" first="Knut" last="Baumann">Knut Baumann</name>
<affiliation wicri:level="1"><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>
</affiliation>
</author>
<author><name sortKey="Ziebuhr, John" sort="Ziebuhr, John" uniqKey="Ziebuhr J" first="John" last="Ziebuhr">John Ziebuhr</name>
<affiliation wicri:level="1"><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>
</affiliation>
</author>
<author><name sortKey="Schirmeister, Tanja" sort="Schirmeister, Tanja" uniqKey="Schirmeister T" first="Tanja" last="Schirmeister">Tanja Schirmeister</name>
<affiliation wicri:level="1"><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>
</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>
</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="1"><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>
</affiliation>
</author>
<author><name sortKey="Stiefl, Nikolaus" sort="Stiefl, Nikolaus" uniqKey="Stiefl N" first="Nikolaus" last="Stiefl">Nikolaus Stiefl</name>
<affiliation wicri:level="1"><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>
</affiliation>
</author>
<author><name sortKey="Degel, Bjorn" sort="Degel, Bjorn" uniqKey="Degel B" first="Björn" last="Degel">Björn Degel</name>
<affiliation wicri:level="1"><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>
</affiliation>
</author>
<author><name sortKey="Schulz, Franziska" sort="Schulz, Franziska" uniqKey="Schulz F" first="Franziska" last="Schulz">Franziska Schulz</name>
<affiliation wicri:level="1"><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>
</affiliation>
</author>
<author><name sortKey="Breuning, Alexander" sort="Breuning, Alexander" uniqKey="Breuning A" first="Alexander" last="Breuning">Alexander Breuning</name>
<affiliation wicri:level="1"><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>
</affiliation>
</author>
<author><name sortKey="Schiller, Markus" sort="Schiller, Markus" uniqKey="Schiller M" first="Markus" last="Schiller">Markus Schiller</name>
<affiliation wicri:level="1"><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>
</affiliation>
</author>
<author><name sortKey="Vicik, Radim" sort="Vicik, Radim" uniqKey="Vicik R" first="Radim" last="Vicik">Radim Vicik</name>
<affiliation wicri:level="1"><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>
</affiliation>
</author>
<author><name sortKey="Baumann, Knut" sort="Baumann, Knut" uniqKey="Baumann K" first="Knut" last="Baumann">Knut Baumann</name>
<affiliation wicri:level="1"><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>
</affiliation>
</author>
<author><name sortKey="Ziebuhr, John" sort="Ziebuhr, John" uniqKey="Ziebuhr J" first="John" last="Ziebuhr">John Ziebuhr</name>
<affiliation wicri:level="1"><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>
</affiliation>
</author>
<author><name sortKey="Schirmeister, Tanja" sort="Schirmeister, Tanja" uniqKey="Schirmeister T" first="Tanja" last="Schirmeister">Tanja Schirmeister</name>
<affiliation wicri:level="1"><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>
</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>Enzyme inhibitor</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>Protease inhibitor</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>
</keywords>
<keywords scheme="Pascal" xml:lang="fr"><term>Relation structure activité</term>
<term>Peptide</term>
<term>Site actif</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>
<inist><standard h6="B"><pA><fA01 i1="01" i2="1"><s0>0960-894X</s0>
</fA01>
<fA03 i2="1"><s0>Bioorg. med. chem. lett. : (Print)</s0>
</fA03>
<fA05><s2>15</s2>
</fA05>
<fA06><s2>24</s2>
</fA06>
<fA08 i1="01" i2="1" l="ENG"><s1>Screening of electrophilic compounds yields an aziridinyl peptide as new active-site directed SARS-CoV main protease inhibitor</s1>
</fA08>
<fA11 i1="01" i2="1"><s1>MARTINA (Erika)</s1>
</fA11>
<fA11 i1="02" i2="1"><s1>STIEFL (Nikolaus)</s1>
</fA11>
<fA11 i1="03" i2="1"><s1>DEGEL (Björn)</s1>
</fA11>
<fA11 i1="04" i2="1"><s1>SCHULZ (Franziska)</s1>
</fA11>
<fA11 i1="05" i2="1"><s1>BREUNING (Alexander)</s1>
</fA11>
<fA11 i1="06" i2="1"><s1>SCHILLER (Markus)</s1>
</fA11>
<fA11 i1="07" i2="1"><s1>VICIK (Radim)</s1>
</fA11>
<fA11 i1="08" i2="1"><s1>BAUMANN (Knut)</s1>
</fA11>
<fA11 i1="09" i2="1"><s1>ZIEBUHR (John)</s1>
</fA11>
<fA11 i1="10" i2="1"><s1>SCHIRMEISTER (Tanja)</s1>
</fA11>
<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>
</fA14>
<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>
</fA14>
<fA20><s1>5365-5369</s1>
</fA20>
<fA21><s1>2005</s1>
</fA21>
<fA23 i1="01"><s0>ENG</s0>
</fA23>
<fA43 i1="01"><s1>INIST</s1>
<s2>22446</s2>
<s5>354000135654040010</s5>
</fA43>
<fA44><s0>0000</s0>
<s1>© 2006 INIST-CNRS. All rights reserved.</s1>
</fA44>
<fA45><s0>40 ref.</s0>
</fA45>
<fA47 i1="01" i2="1"><s0>06-0169911</s0>
</fA47>
<fA60><s1>P</s1>
</fA60>
<fA61><s0>A</s0>
</fA61>
<fA64 i1="01" i2="1"><s0>Bioorganic & medicinal chemistry letters : (Print)</s0>
</fA64>
<fA66 i1="01"><s0>GBR</s0>
</fA66>
<fC01 i1="01" l="ENG"><s0>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.</s0>
</fC01>
<fC02 i1="01" i2="X"><s0>002B02S05</s0>
</fC02>
<fC03 i1="01" i2="X" l="FRE"><s0>Relation structure activité</s0>
<s5>01</s5>
</fC03>
<fC03 i1="01" i2="X" l="ENG"><s0>Structure activity relation</s0>
<s5>01</s5>
</fC03>
<fC03 i1="01" i2="X" l="SPA"><s0>Relación estructura actividad</s0>
<s5>01</s5>
</fC03>
<fC03 i1="02" i2="X" l="FRE"><s0>Peptide</s0>
<s5>03</s5>
</fC03>
<fC03 i1="02" i2="X" l="ENG"><s0>Peptides</s0>
<s5>03</s5>
</fC03>
<fC03 i1="02" i2="X" l="SPA"><s0>Péptido</s0>
<s5>03</s5>
</fC03>
<fC03 i1="03" i2="X" l="FRE"><s0>Site actif</s0>
<s5>04</s5>
</fC03>
<fC03 i1="03" i2="X" l="ENG"><s0>Active site</s0>
<s5>04</s5>
</fC03>
<fC03 i1="03" i2="X" l="SPA"><s0>Lugar activo</s0>
<s5>04</s5>
</fC03>
<fC03 i1="04" i2="X" l="FRE"><s0>Virus syndrome respiratoire aigu sévère</s0>
<s2>NW</s2>
<s5>05</s5>
</fC03>
<fC03 i1="04" i2="X" l="ENG"><s0>Severe acute respiratory syndrome virus</s0>
<s2>NW</s2>
<s5>05</s5>
</fC03>
<fC03 i1="04" i2="X" l="SPA"><s0>Severe acute respiratory syndrome virus</s0>
<s2>NW</s2>
<s5>05</s5>
</fC03>
<fC03 i1="05" i2="X" l="FRE"><s0>Inhibiteur protease</s0>
<s2>FR</s2>
<s5>06</s5>
</fC03>
<fC03 i1="05" i2="X" l="ENG"><s0>Protease inhibitor</s0>
<s2>FR</s2>
<s5>06</s5>
</fC03>
<fC03 i1="05" i2="X" l="SPA"><s0>Inhibidor proteasa</s0>
<s2>FR</s2>
<s5>06</s5>
</fC03>
<fC03 i1="06" i2="X" l="FRE"><s0>Tripeptide</s0>
<s5>07</s5>
</fC03>
<fC03 i1="06" i2="X" l="ENG"><s0>Tripeptide</s0>
<s5>07</s5>
</fC03>
<fC03 i1="06" i2="X" l="SPA"><s0>Tripéptido</s0>
<s5>07</s5>
</fC03>
<fC03 i1="07" i2="X" l="FRE"><s0>Peptidases</s0>
<s2>FE</s2>
<s5>08</s5>
</fC03>
<fC03 i1="07" i2="X" l="ENG"><s0>Peptidases</s0>
<s2>FE</s2>
<s5>08</s5>
</fC03>
<fC03 i1="07" i2="X" l="SPA"><s0>Peptidases</s0>
<s2>FE</s2>
<s5>08</s5>
</fC03>
<fC03 i1="08" i2="X" l="FRE"><s0>In vitro</s0>
<s5>09</s5>
</fC03>
<fC03 i1="08" i2="X" l="ENG"><s0>In vitro</s0>
<s5>09</s5>
</fC03>
<fC03 i1="08" i2="X" l="SPA"><s0>In vitro</s0>
<s5>09</s5>
</fC03>
<fC03 i1="09" i2="X" l="FRE"><s0>Hétérocycle azote</s0>
<s5>10</s5>
</fC03>
<fC03 i1="09" i2="X" l="ENG"><s0>Nitrogen heterocycle</s0>
<s5>10</s5>
</fC03>
<fC03 i1="09" i2="X" l="SPA"><s0>Heterociclo nitrógeno</s0>
<s5>10</s5>
</fC03>
<fC03 i1="10" i2="X" l="FRE"><s0>Cycle 3 chaînons</s0>
<s5>11</s5>
</fC03>
<fC03 i1="10" i2="X" l="ENG"><s0>Three membered ring</s0>
<s5>11</s5>
</fC03>
<fC03 i1="10" i2="X" l="SPA"><s0>Ciclo 3 eslabones</s0>
<s5>11</s5>
</fC03>
<fC03 i1="11" i2="X" l="FRE"><s0>Stéréoisomère trans</s0>
<s5>12</s5>
</fC03>
<fC03 i1="11" i2="X" l="ENG"><s0>Trans stereoisomer</s0>
<s5>12</s5>
</fC03>
<fC03 i1="11" i2="X" l="SPA"><s0>Estereoisómero trans</s0>
<s5>12</s5>
</fC03>
<fC03 i1="12" i2="X" l="FRE"><s0>Stéréosélectivité</s0>
<s5>13</s5>
</fC03>
<fC03 i1="12" i2="X" l="ENG"><s0>Stereoselectivity</s0>
<s5>13</s5>
</fC03>
<fC03 i1="12" i2="X" l="SPA"><s0>Estereoselectividad</s0>
<s5>13</s5>
</fC03>
<fC03 i1="13" i2="X" l="FRE"><s0>Modèle moléculaire</s0>
<s5>14</s5>
</fC03>
<fC03 i1="13" i2="X" l="ENG"><s0>Molecular model</s0>
<s5>14</s5>
</fC03>
<fC03 i1="13" i2="X" l="SPA"><s0>Modelo molecular</s0>
<s5>14</s5>
</fC03>
<fC03 i1="14" i2="X" l="FRE"><s0>Complexe enzyme inhibiteur</s0>
<s5>15</s5>
</fC03>
<fC03 i1="14" i2="X" l="ENG"><s0>Inhibitor enzyme complex</s0>
<s5>15</s5>
</fC03>
<fC03 i1="14" i2="X" l="SPA"><s0>Complejo enzima inhibidor</s0>
<s5>15</s5>
</fC03>
<fC03 i1="15" i2="X" l="FRE"><s0>Antiviral</s0>
<s5>16</s5>
</fC03>
<fC03 i1="15" i2="X" l="ENG"><s0>Antiviral</s0>
<s5>16</s5>
</fC03>
<fC03 i1="15" i2="X" l="SPA"><s0>Antiviral</s0>
<s5>16</s5>
</fC03>
<fC03 i1="16" i2="X" l="FRE"><s0>Inhibiteur enzyme</s0>
<s5>32</s5>
</fC03>
<fC03 i1="16" i2="X" l="ENG"><s0>Enzyme inhibitor</s0>
<s5>32</s5>
</fC03>
<fC03 i1="16" i2="X" l="SPA"><s0>Inhibidor enzima</s0>
<s5>32</s5>
</fC03>
<fC03 i1="17" i2="X" l="FRE"><s0>Modélisation</s0>
<s5>33</s5>
</fC03>
<fC03 i1="17" i2="X" l="ENG"><s0>Modeling</s0>
<s5>33</s5>
</fC03>
<fC03 i1="17" i2="X" l="SPA"><s0>Modelización</s0>
<s5>33</s5>
</fC03>
<fC03 i1="18" i2="X" l="FRE"><s0>Glycine(N-[(3-éthoxycarbonylazirdinyl)carbonyl]glycyl) ester benzyle</s0>
<s2>NK</s2>
<s2>FR</s2>
<s4>INC</s4>
<s5>76</s5>
</fC03>
<fC03 i1="19" i2="X" l="FRE"><s0>Aziridine-2,3-dicarboxylique acide dérivé</s0>
<s2>NK</s2>
<s4>INC</s4>
<s5>77</s5>
</fC03>
<fC07 i1="01" i2="X" l="FRE"><s0>Coronavirus</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="01" i2="X" l="ENG"><s0>Coronavirus</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="01" i2="X" l="SPA"><s0>Coronavirus</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="02" i2="X" l="FRE"><s0>Coronaviridae</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="02" i2="X" l="ENG"><s0>Coronaviridae</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="02" i2="X" l="SPA"><s0>Coronaviridae</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="03" i2="X" l="FRE"><s0>Nidovirales</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="03" i2="X" l="ENG"><s0>Nidovirales</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="03" i2="X" l="SPA"><s0>Nidovirales</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="04" i2="X" l="FRE"><s0>Virus</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="04" i2="X" l="ENG"><s0>Virus</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="04" i2="X" l="SPA"><s0>Virus</s0>
<s2>NW</s2>
</fC07>
<fC07 i1="05" i2="X" l="FRE"><s0>Hydrolases</s0>
<s2>FE</s2>
</fC07>
<fC07 i1="05" i2="X" l="ENG"><s0>Hydrolases</s0>
<s2>FE</s2>
</fC07>
<fC07 i1="05" i2="X" l="SPA"><s0>Hydrolases</s0>
<s2>FE</s2>
</fC07>
<fC07 i1="06" i2="X" l="FRE"><s0>Enzyme</s0>
<s2>FE</s2>
</fC07>
<fC07 i1="06" i2="X" l="ENG"><s0>Enzyme</s0>
<s2>FE</s2>
</fC07>
<fC07 i1="06" i2="X" l="SPA"><s0>Enzima</s0>
<s2>FE</s2>
</fC07>
<fN21><s1>100</s1>
</fN21>
</pA>
</standard>
</inist>
</record>

Pour manipuler ce document sous Unix (Dilib)

EXPLOR_STEP=$WICRI_ROOT/Sante/explor/SrasV1/Data/PascalFrancis/Curation

HfdSelect -h $EXPLOR_STEP/biblio.hfd -nk 000455 | SxmlIndent | more

HfdSelect -h $EXPLOR_AREA/Data/PascalFrancis/Curation/biblio.hfd -nk 000455 | SxmlIndent | more

Pour mettre un lien sur cette page dans le réseau Wicri

{{Explor lien
   |wiki=    Sante
   |area=    SrasV1
   |flux=    PascalFrancis
   |étape=   Curation
   |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
	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.

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...)

Links to Exploration step

Le document en format XML

Pour manipuler ce document sous Unix (Dilib)

Pour mettre un lien sur cette page dans le réseau Wicri