Synthesis, docking studies, and evaluation of pyrimidines as inhibitors of SARS-CoV 3CL protease.
Identifieur interne : 002434 ( Main/Exploration ); précédent : 002433; suivant : 002435Synthesis, docking studies, and evaluation of pyrimidines as inhibitors of SARS-CoV 3CL protease.
Auteurs : R. Ramajayam [Taïwan] ; Kian-Pin Tan ; Hun-Ge Liu ; Po-Huang LiangSource :
- Bioorganic & medicinal chemistry letters [ 1464-3405 ] ; 2010.
Descripteurs français
- KwdFr :
- Concentration inhibitrice 50, Cysteine endopeptidases, Inhibiteurs de protéases (pharmacologie), Inhibiteurs de protéases (synthèse chimique), Liaison aux protéines, Modèles moléculaires, Protéines virales (antagonistes et inhibiteurs), Pyrimidines (pharmacologie), Pyrimidines (synthèse chimique), Relation structure-activité, Simulation numérique, Virus du SRAS (), Virus du SRAS (enzymologie).
- MESH :
- antagonistes et inhibiteurs : Protéines virales.
- enzymologie : Virus du SRAS.
- pharmacologie : Inhibiteurs de protéases, Pyrimidines.
- synthèse chimique : Inhibiteurs de protéases, Pyrimidines.
- Concentration inhibitrice 50, Cysteine endopeptidases, Liaison aux protéines, Modèles moléculaires, Relation structure-activité, Simulation numérique, Virus du SRAS.
English descriptors
- KwdEn :
- Computer Simulation, Cysteine Endopeptidases, Inhibitory Concentration 50, Models, Molecular, Protease Inhibitors (chemical synthesis), Protease Inhibitors (pharmacology), Protein Binding, Pyrimidines (chemical synthesis), Pyrimidines (pharmacology), SARS Virus (drug effects), SARS Virus (enzymology), Structure-Activity Relationship, Viral Proteins (antagonists & inhibitors).
- MESH :
- chemical , antagonists & inhibitors : Viral Proteins.
- chemical , chemical synthesis : Protease Inhibitors, Pyrimidines.
- chemical , pharmacology : Protease Inhibitors, Pyrimidines.
- chemical : Cysteine Endopeptidases.
- drug effects : SARS Virus.
- enzymology : SARS Virus.
- Computer Simulation, Inhibitory Concentration 50, Models, Molecular, Protein Binding, Structure-Activity Relationship.
Abstract
A series of 2-(benzylthio)-6-oxo-4-phenyl-1,6-dihydropyrimidine as SARS-CoV 3CL protease inhibitors were developed and their potency was evaluated by in vitro protease inhibitory assays. Two candidates had encouraging results for the development of new anti-SARS compounds.
DOI: 10.1016/j.bmcl.2010.04.118
PubMed: 20494577
Affiliations:
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Le document en format XML
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Ramajayam</name><affiliation wicri:level="1"><nlm:affiliation>Institute of Biological Chemistry, Academia Sinica, Taipei, Taiwan.</nlm:affiliation><country xml:lang="fr">Taïwan</country><wicri:regionArea>Institute of Biological Chemistry, Academia Sinica, Taipei</wicri:regionArea><wicri:noRegion>Taipei</wicri:noRegion></affiliation></author><author><name sortKey="Tan, Kian Pin" sort="Tan, Kian Pin" uniqKey="Tan K" first="Kian-Pin" last="Tan">Kian-Pin Tan</name></author><author><name sortKey="Liu, Hun Ge" sort="Liu, Hun Ge" uniqKey="Liu H" first="Hun-Ge" last="Liu">Hun-Ge Liu</name></author><author><name sortKey="Liang, Po Huang" sort="Liang, Po Huang" uniqKey="Liang P" first="Po-Huang" last="Liang">Po-Huang Liang</name></author></analytic><series><title level="j">Bioorganic & medicinal chemistry letters</title><idno type="eISSN">1464-3405</idno><imprint><date when="2010" type="published">2010</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Computer Simulation</term><term>Cysteine Endopeptidases</term><term>Inhibitory Concentration 50</term><term>Models, Molecular</term><term>Protease Inhibitors (chemical synthesis)</term><term>Protease Inhibitors (pharmacology)</term><term>Protein Binding</term><term>Pyrimidines (chemical synthesis)</term><term>Pyrimidines (pharmacology)</term><term>SARS Virus (drug effects)</term><term>SARS Virus (enzymology)</term><term>Structure-Activity Relationship</term><term>Viral Proteins (antagonists & inhibitors)</term></keywords><keywords scheme="KwdFr" xml:lang="fr"><term>Concentration inhibitrice 50</term><term>Cysteine endopeptidases</term><term>Inhibiteurs de protéases (pharmacologie)</term><term>Inhibiteurs de protéases (synthèse chimique)</term><term>Liaison aux protéines</term><term>Modèles moléculaires</term><term>Protéines virales (antagonistes et inhibiteurs)</term><term>Pyrimidines (pharmacologie)</term><term>Pyrimidines (synthèse chimique)</term><term>Relation structure-activité</term><term>Simulation numérique</term><term>Virus du SRAS ()</term><term>Virus du SRAS (enzymologie)</term></keywords><keywords scheme="MESH" type="chemical" qualifier="antagonists & inhibitors" xml:lang="en"><term>Viral Proteins</term></keywords><keywords scheme="MESH" type="chemical" qualifier="chemical synthesis" xml:lang="en"><term>Protease Inhibitors</term><term>Pyrimidines</term></keywords><keywords scheme="MESH" type="chemical" qualifier="pharmacology" xml:lang="en"><term>Protease Inhibitors</term><term>Pyrimidines</term></keywords><keywords scheme="MESH" type="chemical" xml:lang="en"><term>Cysteine Endopeptidases</term></keywords><keywords scheme="MESH" qualifier="antagonistes et inhibiteurs" xml:lang="fr"><term>Protéines virales</term></keywords><keywords scheme="MESH" qualifier="drug effects" xml:lang="en"><term>SARS Virus</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="pharmacologie" xml:lang="fr"><term>Inhibiteurs de protéases</term><term>Pyrimidines</term></keywords><keywords scheme="MESH" qualifier="synthèse chimique" xml:lang="fr"><term>Inhibiteurs de protéases</term><term>Pyrimidines</term></keywords><keywords scheme="MESH" xml:lang="en"><term>Computer Simulation</term><term>Inhibitory Concentration 50</term><term>Models, Molecular</term><term>Protein Binding</term><term>Structure-Activity Relationship</term></keywords><keywords scheme="MESH" xml:lang="fr"><term>Concentration inhibitrice 50</term><term>Cysteine endopeptidases</term><term>Liaison aux protéines</term><term>Modèles moléculaires</term><term>Relation structure-activité</term><term>Simulation numérique</term><term>Virus du SRAS</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">A series of 2-(benzylthio)-6-oxo-4-phenyl-1,6-dihydropyrimidine as SARS-CoV 3CL protease inhibitors were developed and their potency was evaluated by in vitro protease inhibitory assays. Two candidates had encouraging results for the development of new anti-SARS compounds.</div></front></TEI><affiliations><list><country><li>Taïwan</li></country></list><tree><noCountry><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="Tan, Kian Pin" sort="Tan, Kian Pin" uniqKey="Tan K" first="Kian-Pin" last="Tan">Kian-Pin Tan</name></noCountry><country name="Taïwan"><noRegion><name sortKey="Ramajayam, R" sort="Ramajayam, R" uniqKey="Ramajayam R" first="R" last="Ramajayam">R. Ramajayam</name></noRegion></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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