SrasV1, Main, Exploration, bibRecord, 003B22

Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors

Identifieur interne : 003B22 ( Main/Exploration ); précédent : 003B21; suivant : 003B23

Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors

Auteurs : Arun K. Ghosh [États-Unis] ; KAI XI [États-Unis] ; Valerie Grum-Tokars [États-Unis] ; XIAOMING XU [États-Unis] ; Kiira Ratia [États-Unis] ; WENTAO FU [États-Unis] ; Katherine V. Houser [États-Unis] ; Susan C. Baker [États-Unis] ; Michael E. Johnson [États-Unis] ; Andrew D. Mesecar [États-Unis]

Source :

Bioorganic & medicinal chemistry letters : (Print) [ 0960-894X ] ; 2007.

RBID : Pascal:08-0100536

Descripteurs français

Pascal (Inist)
- Relation structure activité, Synthèse chimique, Antiviral, Composé peptidomimétique, Virus syndrome respiratoire aigu sévère, Inhibiteur protease, Structure cristalline, Composé non peptide, Composé aliphatique, Lactame, In vitro, Modèle moléculaire, Complexe enzyme inhibiteur, Aminoester, Composé éthylénique, Liaison hydrogène, Inhibiteur enzyme, Peptidases, Modélisation, Diffraction RX, Structure moléculaire, Pent-2-énoïque acide dérivé, Pyrrolidin-2-one dérivé, Hex-4-énoïque acide dérivé, Sérine dérivé.

English descriptors

KwdEn :
- Aliphatic compound, Aminoester, Antiviral, Chemical synthesis, Crystalline structure, Enzyme inhibitor, Ethylenic compound, Hydrogen bond, In vitro, Inhibitor enzyme complex, Lactam, Modeling, Molecular model, Molecular structure, Non peptide compound, Peptidases, Peptidomimetic compound, Protease inhibitor, Severe acute respiratory syndrome virus, Structure activity relation, X ray diffraction.

Abstract

-Structure-based design, synthesis, and biological evaluation of a series of peptidomimetic severe acute respiratory syndrome-coronavirus chymotrypsin-like protease inhibitors are described. These inhibitors were designed and synthesized based upon our X-ray crystal structure of inhibitor 1 bound to SARS-CoV 3CLpro. Incorporation of Boc-Ser as the P₄-ligand resulted in enhanced SARS-CoV 3CLpro inhibitory activity. Structural analysis of the inhibitor-bound X-ray structure revealed high binding affinity toward the enzyme.

Url:

http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2112940

Affiliations:

Le document en format XML

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<term>Chemical synthesis</term>
<term>Crystalline structure</term>
<term>Enzyme inhibitor</term>
<term>Ethylenic compound</term>
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<term>Molecular model</term>
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<keywords scheme="Pascal" xml:lang="fr"><term>Relation structure activité</term>
<term>Synthèse chimique</term>
<term>Antiviral</term>
<term>Composé peptidomimétique</term>
<term>Virus syndrome respiratoire aigu sévère</term>
<term>Inhibiteur protease</term>
<term>Structure cristalline</term>
<term>Composé non peptide</term>
<term>Composé aliphatique</term>
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<term>Diffraction RX</term>
<term>Structure moléculaire</term>
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<front><div type="abstract" xml:lang="en">-Structure-based design, synthesis, and biological evaluation of a series of peptidomimetic severe acute respiratory syndrome-coronavirus chymotrypsin-like protease inhibitors are described. These inhibitors were designed and synthesized based upon our X-ray crystal structure of inhibitor 1 bound to SARS-CoV 3CLpro. Incorporation of Boc-Ser as the P<sub>4</sub>
-ligand resulted in enhanced SARS-CoV 3CLpro inhibitory activity. Structural analysis of the inhibitor-bound X-ray structure revealed high binding affinity toward the enzyme.</div>
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<name sortKey="Mesecar, Andrew D" sort="Mesecar, Andrew D" uniqKey="Mesecar A" first="Andrew D." last="Mesecar">Andrew D. Mesecar</name>
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<name sortKey="Wentao Fu" sort="Wentao Fu" uniqKey="Wentao Fu" last="Wentao Fu">WENTAO FU</name>
<name sortKey="Xiaoming Xu" sort="Xiaoming Xu" uniqKey="Xiaoming Xu" last="Xiaoming Xu">XIAOMING XU</name>
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   |texte=   Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors
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Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors

Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors

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