Individual and common inhibitors of coronavirus and picornavirus main proteases
Identifieur interne : 002A96 ( Main/Exploration ); précédent : 002A95; suivant : 002A97Individual and common inhibitors of coronavirus and picornavirus main proteases
Auteurs : Chih-Jung Kuo ; Hun-Ge Liu ; Yueh-Kuei Lo ; Churl-Min Seong ; Kee-In Lee ; Young-Sik Jung ; Po-Huang LiangSource :
- Febs Letters [ 0014-5793 ] ; 2009.
Descripteurs français
- KwdFr :
- Alignement de séquences, Coronavirus (), Coronavirus (enzymologie), Données de séquences moléculaires, Inhibiteurs de protéases (), Inhibiteurs de protéases (pharmacologie), Liaison aux protéines, Modèles moléculaires, Peptide hydrolases (), Peptide hydrolases (métabolisme), Picornaviridae (), Picornaviridae (enzymologie), Relation structure-activité, Simulation numérique, Structure tertiaire des protéines, Séquence conservée, Séquence d'acides aminés, Évaluation préclinique de médicament.
- MESH :
- enzymologie : Coronavirus, Picornaviridae.
- métabolisme : Peptide hydrolases.
- pharmacologie : Inhibiteurs de protéases.
- Alignement de séquences, Coronavirus, Données de séquences moléculaires, Inhibiteurs de protéases, Liaison aux protéines, Modèles moléculaires, Peptide hydrolases, Picornaviridae, Relation structure-activité, Simulation numérique, Structure tertiaire des protéines, Séquence conservée, Séquence d'acides aminés, Évaluation préclinique de médicament.
English descriptors
- KwdEn :
- Amino Acid Sequence, Computer Simulation, Conserved Sequence, Coronavirus (drug effects), Coronavirus (enzymology), Drug Evaluation, Preclinical, Models, Molecular, Molecular Sequence Data, Peptide Hydrolases (chemistry), Peptide Hydrolases (metabolism), Picornaviridae (drug effects), Picornaviridae (enzymology), Protease Inhibitors (chemistry), Protease Inhibitors (pharmacology), Protein Binding, Protein Structure, Tertiary, Sequence Alignment, Structure-Activity Relationship.
- MESH :
- chemical , chemistry : Peptide Hydrolases, Protease Inhibitors.
- drug effects : Coronavirus, Picornaviridae.
- enzymology : Coronavirus, Picornaviridae.
- chemical , metabolism : Peptide Hydrolases.
- chemical , pharmacology : Protease Inhibitors.
- Amino Acid Sequence, Computer Simulation, Conserved Sequence, Drug Evaluation, Preclinical, Models, Molecular, Molecular Sequence Data, Protein Binding, Protein Structure, Tertiary, Sequence Alignment, Structure-Activity Relationship.
Abstract
Picornaviruses (PV) and coronaviruses (CoV) are positive‐stranded RNA viruses which infect millions of people worldwide each year, resulting in a wide range of clinical outcomes. As reported in this study, using high throughput screening against ∼6800 small molecules, we have identified several novel inhibitors of SARS‐CoV 3CLpro with IC50 of low μM. Interestingly, one of them equally inhibited both 3Cpro and 3CLpro from PV and CoV, respectively. Using computer modeling, the structural features of these compounds as individual and common protease inhibitors were elucidated to enhance our knowledge for developing anti‐viral agents against PV and CoV.
Url:
DOI: 10.1016/j.febslet.2008.12.059
PubMed: 19166843
PubMed Central: 7094298
Affiliations:
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Le document en format XML
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xml:lang="fr"><term>Inhibiteurs de protéases</term></keywords><keywords scheme="MESH" type="chemical" qualifier="pharmacology" xml:lang="en"><term>Protease Inhibitors</term></keywords><keywords scheme="MESH" xml:lang="en"><term>Amino Acid Sequence</term><term>Computer Simulation</term><term>Conserved Sequence</term><term>Drug Evaluation, Preclinical</term><term>Models, Molecular</term><term>Molecular Sequence Data</term><term>Protein Binding</term><term>Protein Structure, Tertiary</term><term>Sequence Alignment</term><term>Structure-Activity Relationship</term></keywords><keywords scheme="MESH" xml:lang="fr"><term>Alignement de séquences</term><term>Coronavirus</term><term>Données de séquences moléculaires</term><term>Inhibiteurs de protéases</term><term>Liaison aux protéines</term><term>Modèles moléculaires</term><term>Peptide hydrolases</term><term>Picornaviridae</term><term>Relation structure-activité</term><term>Simulation numérique</term><term>Structure tertiaire des protéines</term><term>Séquence conservée</term><term>Séquence d'acides aminés</term><term>Évaluation préclinique de médicament</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p>Picornaviruses (PV) and coronaviruses (CoV) are positive‐stranded RNA viruses which infect millions of people worldwide each year, resulting in a wide range of clinical outcomes. As reported in this study, using high throughput screening against ∼6800 small molecules, we have identified several novel inhibitors of SARS‐CoV 3CL<sup>pro</sup> with IC<sub>50</sub> of low μM. Interestingly, one of them equally inhibited both 3C<sup>pro</sup> and 3CL<sup>pro</sup> from PV and CoV, respectively. Using computer modeling, the structural features of these compounds as individual and common protease inhibitors were elucidated to enhance our knowledge for developing anti‐viral agents against PV and CoV.</p></div></front><back><div1 type="bibliography"><listBibl><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct></listBibl></div1></back></TEI><affiliations><list></list><tree><noCountry><name sortKey="Jung, Young Sik" sort="Jung, Young Sik" uniqKey="Jung Y" first="Young-Sik" last="Jung">Young-Sik Jung</name><name sortKey="Kuo, Chih Jung" sort="Kuo, Chih Jung" uniqKey="Kuo C" first="Chih-Jung" last="Kuo">Chih-Jung Kuo</name><name sortKey="Lee, Kee In" sort="Lee, Kee In" uniqKey="Lee K" first="Kee-In" last="Lee">Kee-In Lee</name><name sortKey="Liang, Po Huang" sort="Liang, Po Huang" uniqKey="Liang P" first="Po-Huang" last="Liang">Po-Huang Liang</name><name sortKey="Liu, Hun Ge" sort="Liu, Hun Ge" uniqKey="Liu H" first="Hun-Ge" last="Liu">Hun-Ge Liu</name><name sortKey="Lo, Yueh Kuei" sort="Lo, Yueh Kuei" uniqKey="Lo Y" first="Yueh-Kuei" last="Lo">Yueh-Kuei Lo</name><name sortKey="Seong, Churl Min" sort="Seong, Churl Min" uniqKey="Seong C" first="Churl-Min" last="Seong">Churl-Min Seong</name></noCountry></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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