Discovery of Potent Anilide Inhibitors against the Severe Acute Respiratory Syndrome 3CL Protease
Identifieur interne : 004998 ( Main/Exploration ); précédent : 004997; suivant : 004999Discovery of Potent Anilide Inhibitors against the Severe Acute Respiratory Syndrome 3CL Protease
Auteurs : Jiun-Jie Shie [États-Unis] ; Jim-Min Fang [États-Unis, Taïwan] ; Chih-Jung Kuo [États-Unis] ; Tun-Hsun Kuo [États-Unis] ; Po-Huang Liang [États-Unis, Taïwan] ; Hung-Jyun Huang [États-Unis] ; Wen-Bin Yang [États-Unis] ; Chun-Hung Lin [États-Unis] ; Jiun-Ling Chen [États-Unis] ; Yin-Ta Wu [États-Unis] ; Chi-Huey Wong [États-Unis]Source :
- Journal of Medicinal Chemistry [ 0022-2623 ] ; 2005.
Descripteurs français
- KwdFr :
- Anilides (), Anilides (pharmacologie), Anilides (synthèse chimique), Antiviraux (), Antiviraux (pharmacologie), Antiviraux (synthèse chimique), Cinétique, Conformation des protéines, Cysteine endopeptidases, Endopeptidases (), Endopeptidases (métabolisme), Inhibiteurs de protéases (), Inhibiteurs de protéases (pharmacologie), Inhibiteurs de protéases (synthèse chimique), Modèles moléculaires, Protéines virales (), Protéines virales (métabolisme), Relation structure-activité, Syndrome respiratoire aigu sévère (traitement médicamenteux), Virus du SRAS (), Virus du SRAS (enzymologie).
- MESH :
- enzymologie : Virus du SRAS.
- métabolisme : Endopeptidases, Protéines virales.
- pharmacologie : Anilides, Antiviraux, Inhibiteurs de protéases.
- synthèse chimique : Anilides, Antiviraux, Inhibiteurs de protéases.
- traitement médicamenteux : Syndrome respiratoire aigu sévère.
- Anilides, Antiviraux, Cinétique, Conformation des protéines, Cysteine endopeptidases, Endopeptidases, Inhibiteurs de protéases, Modèles moléculaires, Protéines virales, Relation structure-activité, Virus du SRAS.
- Pascal (Inist)
- Aminoamide, Anilide, Antiviral, Benzène dérivé, Carboxamide, Composé nitro, Composé non peptide, In vitro, Inhibiteur enzyme, Peptidases, Peptide, Phénylalanamide(N-[2-chloro-4-nitrophényl]-N-[4-(diméthylamino)benzoyl]), Relation structure activité, Tripeptide, Tétrapeptide, Virus syndrome respiratoire aigu sévère.
English descriptors
- KwdEn :
- Aminoamide, Anilide, Anilides (chemical synthesis), Anilides (chemistry), Anilides (pharmacology), Antiviral, Antiviral Agents (chemical synthesis), Antiviral Agents (chemistry), Antiviral Agents (pharmacology), Benzene derivatives, Carboxamide, Cysteine Endopeptidases, Endopeptidases (chemistry), Endopeptidases (drug effects), Endopeptidases (metabolism), Enzyme inhibitor, In vitro, Kinetics, Models, Molecular, Nitro compound, Non peptide compound, Peptidases, Peptides, Protease Inhibitors (chemical synthesis), Protease Inhibitors (chemistry), Protease Inhibitors (pharmacology), Protein Conformation, SARS Virus (drug effects), SARS Virus (enzymology), Severe Acute Respiratory Syndrome (drug therapy), Severe acute respiratory syndrome virus, Structure activity relation, Structure-Activity Relationship, Tetrapeptide, Tripeptide, Viral Proteins (chemistry), Viral Proteins (drug effects), Viral Proteins (metabolism).
- MESH :
- chemical , chemical synthesis : Anilides, Antiviral Agents, Protease Inhibitors.
- chemical , chemistry : Anilides, Antiviral Agents, Endopeptidases, Protease Inhibitors, Viral Proteins.
- chemical , drug effects : Endopeptidases, Viral Proteins.
- chemical , metabolism : Endopeptidases, Viral Proteins.
- chemical , pharmacology : Anilides, Antiviral Agents, Protease Inhibitors.
- chemical : Cysteine Endopeptidases.
- drug effects : SARS Virus.
- drug therapy : Severe Acute Respiratory Syndrome.
- enzymology : SARS Virus.
- Kinetics, Models, Molecular, Protein Conformation, Structure-Activity Relationship.
Abstract
A diversified library of peptide anilides was prepared, and their inhibition activities against the SARS-CoV 3CL protease were examined by a fluorogenic tetradecapeptide substrate. The most potent inhibitor is an anilide derived from 2-chloro-4-nitroaniline, l-phenylalanine and 4-(dimethylamino)benzoic acid. This anilide is a competitive inhibitor of the SARS-CoV 3CL protease with Ki = 0.03 μM. The molecular docking experiment indicates that the P1 residue of this anilide inhibitor is distant from the nucleophilic SH of Cys145 in the active site.
Url:
DOI: 10.1021/jm050184y
Affiliations:
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Le document en format XML
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Syndrome 3CL Protease</title><author><name sortKey="Shie, Jiun Jie" sort="Shie, Jiun Jie" uniqKey="Shie J" first="Jiun-Jie" last="Shie">Jiun-Jie Shie</name><affiliation wicri:level="2"><country xml:lang="fr">États-Unis</country><placeName><region type="state">Californie</region></placeName><wicri:cityArea>Department of Chemistry, National Taiwan University, Taipei, 106, Taiwan, Genomics Research Center, Academia Sinica,Taipei, 115, Taiwan, Institute of Biological Chemistry, Academia Sinica, Taipei, 115, Taiwan, and Department of Chemistryand the Skaggs Institute for Chemical Biology, The Scripps Research Institute, La Jolla</wicri:cityArea></affiliation><affiliation></affiliation></author><author><name sortKey="Fang, Jim Min" sort="Fang, Jim Min" uniqKey="Fang J" first="Jim-Min" last="Fang">Jim-Min Fang</name><affiliation wicri:level="2"><country xml:lang="fr">États-Unis</country><placeName><region type="state">Californie</region></placeName><wicri:cityArea>Department of Chemistry, National Taiwan University, Taipei, 106, Taiwan, Genomics Research Center, Academia Sinica,Taipei, 115, Taiwan, Institute of Biological Chemistry, Academia Sinica, Taipei, 115, Taiwan, and Department of Chemistryand the Skaggs Institute for Chemical Biology, The Scripps Research Institute, La Jolla</wicri:cityArea></affiliation><affiliation></affiliation><affiliation></affiliation><affiliation wicri:level="1"><country wicri:rule="url">Taïwan</country></affiliation></author><author><name sortKey="Kuo, Chih Jung" sort="Kuo, Chih Jung" uniqKey="Kuo C" first="Chih-Jung" last="Kuo">Chih-Jung Kuo</name><affiliation wicri:level="2"><country xml:lang="fr">États-Unis</country><placeName><region type="state">Californie</region></placeName><wicri:cityArea>Department of Chemistry, National Taiwan University, Taipei, 106, Taiwan, Genomics Research Center, Academia Sinica,Taipei, 115, Taiwan, Institute of Biological Chemistry, Academia Sinica, Taipei, 115, Taiwan, and Department of Chemistryand the Skaggs Institute for Chemical Biology, The Scripps Research Institute, La Jolla</wicri:cityArea></affiliation><affiliation></affiliation></author><author><name sortKey="Kuo, Tun Hsun" sort="Kuo, Tun Hsun" uniqKey="Kuo T" first="Tun-Hsun" last="Kuo">Tun-Hsun Kuo</name><affiliation wicri:level="2"><country xml:lang="fr">États-Unis</country><placeName><region type="state">Californie</region></placeName><wicri:cityArea>Department of Chemistry, National Taiwan University, Taipei, 106, Taiwan, Genomics Research Center, Academia Sinica,Taipei, 115, Taiwan, Institute of Biological Chemistry, Academia Sinica, Taipei, 115, Taiwan, and Department of Chemistryand the Skaggs Institute for Chemical Biology, The Scripps Research Institute, La Jolla</wicri:cityArea></affiliation><affiliation></affiliation></author><author><name sortKey="Liang, Po Huang" sort="Liang, Po Huang" uniqKey="Liang P" first="Po-Huang" last="Liang">Po-Huang Liang</name><affiliation wicri:level="2"><country xml:lang="fr">États-Unis</country><placeName><region type="state">Californie</region></placeName><wicri:cityArea>Department of Chemistry, National Taiwan University, Taipei, 106, Taiwan, Genomics Research Center, Academia Sinica,Taipei, 115, Taiwan, Institute of Biological Chemistry, Academia Sinica, Taipei, 115, Taiwan, and Department of Chemistryand the Skaggs Institute for Chemical Biology, The Scripps Research Institute, La Jolla</wicri:cityArea></affiliation><affiliation></affiliation><affiliation wicri:level="1"><country wicri:rule="url">Taïwan</country></affiliation></author><author><name sortKey="Huang, Hung Jyun" sort="Huang, Hung Jyun" uniqKey="Huang H" first="Hung-Jyun" last="Huang">Hung-Jyun Huang</name><affiliation wicri:level="2"><country xml:lang="fr">États-Unis</country><placeName><region type="state">Californie</region></placeName><wicri:cityArea>Department of Chemistry, National Taiwan University, Taipei, 106, Taiwan, Genomics Research Center, Academia Sinica,Taipei, 115, Taiwan, Institute of Biological Chemistry, Academia Sinica, Taipei, 115, Taiwan, and Department of Chemistryand the Skaggs Institute for Chemical Biology, The Scripps Research Institute, La Jolla</wicri:cityArea></affiliation><affiliation></affiliation></author><author><name sortKey="Yang, Wen Bin" sort="Yang, Wen Bin" uniqKey="Yang W" first="Wen-Bin" last="Yang">Wen-Bin Yang</name><affiliation wicri:level="2"><country xml:lang="fr">États-Unis</country><placeName><region type="state">Californie</region></placeName><wicri:cityArea>Department of Chemistry, National Taiwan University, Taipei, 106, Taiwan, Genomics Research Center, Academia Sinica,Taipei, 115, Taiwan, Institute of Biological Chemistry, Academia Sinica, Taipei, 115, Taiwan, and Department of Chemistryand the Skaggs Institute for Chemical Biology, The Scripps Research Institute, La Jolla</wicri:cityArea></affiliation><affiliation></affiliation></author><author><name sortKey="Lin, Chun Hung" sort="Lin, Chun Hung" uniqKey="Lin C" first="Chun-Hung" last="Lin">Chun-Hung Lin</name><affiliation wicri:level="2"><country xml:lang="fr">États-Unis</country><placeName><region type="state">Californie</region></placeName><wicri:cityArea>Department of Chemistry, National Taiwan University, Taipei, 106, Taiwan, Genomics Research Center, Academia Sinica,Taipei, 115, Taiwan, Institute of Biological Chemistry, Academia Sinica, Taipei, 115, Taiwan, and Department of Chemistryand the Skaggs Institute for Chemical Biology, The Scripps Research Institute, La Jolla</wicri:cityArea></affiliation><affiliation></affiliation></author><author><name sortKey="Chen, Jiun Ling" sort="Chen, Jiun Ling" uniqKey="Chen J" first="Jiun-Ling" last="Chen">Jiun-Ling Chen</name><affiliation wicri:level="2"><country xml:lang="fr">États-Unis</country><placeName><region type="state">Californie</region></placeName><wicri:cityArea>Department of Chemistry, National Taiwan University, Taipei, 106, Taiwan, Genomics Research Center, Academia Sinica,Taipei, 115, Taiwan, Institute of Biological Chemistry, Academia Sinica, Taipei, 115, Taiwan, and Department of Chemistryand the Skaggs Institute for Chemical Biology, The Scripps Research Institute, La Jolla</wicri:cityArea></affiliation><affiliation></affiliation></author><author><name sortKey="Wu, Yin Ta" sort="Wu, Yin Ta" uniqKey="Wu Y" first="Yin-Ta" last="Wu">Yin-Ta Wu</name><affiliation wicri:level="2"><country xml:lang="fr">États-Unis</country><placeName><region type="state">Californie</region></placeName><wicri:cityArea>Department of Chemistry, National Taiwan University, Taipei, 106, Taiwan, Genomics Research Center, Academia Sinica,Taipei, 115, Taiwan, Institute of Biological Chemistry, Academia Sinica, Taipei, 115, Taiwan, and Department of Chemistryand the Skaggs Institute for Chemical Biology, The Scripps Research Institute, La Jolla</wicri:cityArea></affiliation><affiliation></affiliation></author><author><name sortKey="Wong, Chi Huey" sort="Wong, Chi Huey" uniqKey="Wong C" first="Chi-Huey" last="Wong">Chi-Huey Wong</name><affiliation wicri:level="2"><country xml:lang="fr">États-Unis</country><placeName><region type="state">Californie</region></placeName><wicri:cityArea>Department of Chemistry, National Taiwan University, Taipei, 106, Taiwan, Genomics Research Center, Academia Sinica,Taipei, 115, Taiwan, Institute of Biological Chemistry, Academia Sinica, Taipei, 115, Taiwan, and Department of Chemistryand the Skaggs Institute for Chemical Biology, The Scripps Research Institute, La Jolla</wicri:cityArea></affiliation><affiliation></affiliation><affiliation></affiliation></author></analytic><monogr></monogr><series><title level="j" type="main">Journal of Medicinal Chemistry</title><title level="j" type="abbrev">J. Med. Chem.</title><idno type="ISSN">0022-2623</idno><idno type="eISSN">1520-4804</idno><imprint><publisher>American Chemical Society</publisher><date type="e-published">2005</date><date type="published">2005</date><biblScope unit="vol">48</biblScope><biblScope unit="issue">13</biblScope><biblScope unit="page" from="4469">4469</biblScope><biblScope unit="page" to="4473">4473</biblScope></imprint><idno type="ISSN">0022-2623</idno></series></biblStruct></sourceDesc><seriesStmt><idno type="ISSN">0022-2623</idno></seriesStmt></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Aminoamide</term><term>Anilide</term><term>Anilides (chemical synthesis)</term><term>Anilides (chemistry)</term><term>Anilides (pharmacology)</term><term>Antiviral</term><term>Antiviral Agents (chemical synthesis)</term><term>Antiviral Agents (chemistry)</term><term>Antiviral Agents (pharmacology)</term><term>Benzene derivatives</term><term>Carboxamide</term><term>Cysteine Endopeptidases</term><term>Endopeptidases (chemistry)</term><term>Endopeptidases (drug effects)</term><term>Endopeptidases (metabolism)</term><term>Enzyme inhibitor</term><term>In vitro</term><term>Kinetics</term><term>Models, Molecular</term><term>Nitro compound</term><term>Non peptide compound</term><term>Peptidases</term><term>Peptides</term><term>Protease Inhibitors (chemical synthesis)</term><term>Protease Inhibitors (chemistry)</term><term>Protease Inhibitors (pharmacology)</term><term>Protein Conformation</term><term>SARS Virus (drug effects)</term><term>SARS Virus (enzymology)</term><term>Severe Acute Respiratory Syndrome (drug therapy)</term><term>Severe acute respiratory syndrome virus</term><term>Structure activity relation</term><term>Structure-Activity Relationship</term><term>Tetrapeptide</term><term>Tripeptide</term><term>Viral Proteins (chemistry)</term><term>Viral Proteins (drug effects)</term><term>Viral Proteins (metabolism)</term></keywords><keywords scheme="KwdFr" xml:lang="fr"><term>Anilides ()</term><term>Anilides (pharmacologie)</term><term>Anilides (synthèse chimique)</term><term>Antiviraux ()</term><term>Antiviraux (pharmacologie)</term><term>Antiviraux (synthèse chimique)</term><term>Cinétique</term><term>Conformation des protéines</term><term>Cysteine endopeptidases</term><term>Endopeptidases ()</term><term>Endopeptidases (métabolisme)</term><term>Inhibiteurs de protéases ()</term><term>Inhibiteurs de protéases (pharmacologie)</term><term>Inhibiteurs de protéases (synthèse chimique)</term><term>Modèles moléculaires</term><term>Protéines virales ()</term><term>Protéines virales (métabolisme)</term><term>Relation structure-activité</term><term>Syndrome respiratoire aigu sévère (traitement médicamenteux)</term><term>Virus du SRAS ()</term><term>Virus du SRAS (enzymologie)</term></keywords><keywords scheme="MESH" type="chemical" qualifier="chemical synthesis" xml:lang="en"><term>Anilides</term><term>Antiviral Agents</term><term>Protease Inhibitors</term></keywords><keywords scheme="MESH" type="chemical" qualifier="chemistry" xml:lang="en"><term>Anilides</term><term>Antiviral Agents</term><term>Endopeptidases</term><term>Protease Inhibitors</term><term>Viral Proteins</term></keywords><keywords scheme="MESH" type="chemical" qualifier="drug effects" xml:lang="en"><term>Endopeptidases</term><term>Viral Proteins</term></keywords><keywords scheme="MESH" type="chemical" qualifier="metabolism" xml:lang="en"><term>Endopeptidases</term><term>Viral Proteins</term></keywords><keywords scheme="MESH" type="chemical" qualifier="pharmacology" xml:lang="en"><term>Anilides</term><term>Antiviral Agents</term><term>Protease Inhibitors</term></keywords><keywords scheme="MESH" type="chemical" xml:lang="en"><term>Cysteine Endopeptidases</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="enzymologie" xml:lang="fr"><term>Virus du SRAS</term></keywords><keywords scheme="MESH" qualifier="enzymology" xml:lang="en"><term>SARS Virus</term></keywords><keywords scheme="MESH" qualifier="métabolisme" xml:lang="fr"><term>Endopeptidases</term><term>Protéines virales</term></keywords><keywords scheme="MESH" qualifier="pharmacologie" xml:lang="fr"><term>Anilides</term><term>Antiviraux</term><term>Inhibiteurs de protéases</term></keywords><keywords scheme="MESH" qualifier="synthèse chimique" xml:lang="fr"><term>Anilides</term><term>Antiviraux</term><term>Inhibiteurs de protéases</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>Kinetics</term><term>Models, Molecular</term><term>Protein Conformation</term><term>Structure-Activity Relationship</term></keywords><keywords scheme="MESH" xml:lang="fr"><term>Anilides</term><term>Antiviraux</term><term>Cinétique</term><term>Conformation des protéines</term><term>Cysteine endopeptidases</term><term>Endopeptidases</term><term>Inhibiteurs de protéases</term><term>Modèles moléculaires</term><term>Protéines virales</term><term>Relation structure-activité</term><term>Virus du SRAS</term></keywords><keywords scheme="Pascal" xml:lang="fr"><term>Aminoamide</term><term>Anilide</term><term>Antiviral</term><term>Benzène dérivé</term><term>Carboxamide</term><term>Composé nitro</term><term>Composé non peptide</term><term>In vitro</term><term>Inhibiteur enzyme</term><term>Peptidases</term><term>Peptide</term><term>Phénylalanamide(N-[2-chloro-4-nitrophényl]-N-[4-(diméthylamino)benzoyl])</term><term>Relation structure activité</term><term>Tripeptide</term><term>Tétrapeptide</term><term>Virus syndrome respiratoire aigu sévère</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract">A diversified library of peptide anilides was prepared, and their inhibition activities against the SARS-CoV 3CL protease were examined by a fluorogenic tetradecapeptide substrate. The most potent inhibitor is an anilide derived from 2-chloro-4-nitroaniline, l-phenylalanine and 4-(dimethylamino)benzoic acid. This anilide is a competitive inhibitor of the SARS-CoV 3CL protease with Ki = 0.03 μM. The molecular docking experiment indicates that the P1 residue of this anilide inhibitor is distant from the nucleophilic SH of Cys145 in the active site.</div></front></TEI><affiliations><list><country><li>Taïwan</li><li>États-Unis</li></country><region><li>Californie</li></region></list><tree><country name="États-Unis"><region name="Californie"><name sortKey="Shie, Jiun Jie" sort="Shie, Jiun Jie" uniqKey="Shie J" first="Jiun-Jie" last="Shie">Jiun-Jie Shie</name></region><name sortKey="Chen, Jiun Ling" sort="Chen, Jiun Ling" uniqKey="Chen J" first="Jiun-Ling" last="Chen">Jiun-Ling Chen</name><name sortKey="Fang, Jim Min" sort="Fang, Jim Min" uniqKey="Fang J" first="Jim-Min" last="Fang">Jim-Min Fang</name><name sortKey="Huang, Hung Jyun" sort="Huang, Hung Jyun" uniqKey="Huang H" first="Hung-Jyun" last="Huang">Hung-Jyun Huang</name><name sortKey="Kuo, Chih Jung" sort="Kuo, Chih Jung" uniqKey="Kuo C" first="Chih-Jung" last="Kuo">Chih-Jung Kuo</name><name sortKey="Kuo, Tun Hsun" sort="Kuo, Tun Hsun" uniqKey="Kuo T" first="Tun-Hsun" last="Kuo">Tun-Hsun Kuo</name><name sortKey="Liang, Po Huang" sort="Liang, Po Huang" uniqKey="Liang P" first="Po-Huang" last="Liang">Po-Huang Liang</name><name sortKey="Lin, Chun Hung" sort="Lin, Chun Hung" uniqKey="Lin C" first="Chun-Hung" last="Lin">Chun-Hung Lin</name><name sortKey="Wong, Chi Huey" sort="Wong, Chi Huey" uniqKey="Wong C" first="Chi-Huey" last="Wong">Chi-Huey Wong</name><name sortKey="Wu, Yin Ta" sort="Wu, Yin Ta" uniqKey="Wu Y" first="Yin-Ta" last="Wu">Yin-Ta Wu</name><name sortKey="Yang, Wen Bin" sort="Yang, Wen Bin" uniqKey="Yang W" first="Wen-Bin" last="Yang">Wen-Bin Yang</name></country><country name="Taïwan"><noRegion><name sortKey="Fang, Jim Min" sort="Fang, Jim Min" uniqKey="Fang J" first="Jim-Min" last="Fang">Jim-Min Fang</name></noRegion><name sortKey="Liang, Po Huang" sort="Liang, Po Huang" uniqKey="Liang P" first="Po-Huang" last="Liang">Po-Huang Liang</name></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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