SrasV1, Psycho, Analysis, bibRecord, 000268

Old drugs as lead compounds for a new disease? Binding analysis of SARS coronavirus main proteinase with HIV, psychotic and parasite drugs

Identifieur interne : 000268 ( Psycho/Analysis ); précédent : 000267; suivant : 000269

Old drugs as lead compounds for a new disease? Binding analysis of SARS coronavirus main proteinase with HIV, psychotic and parasite drugs

Auteurs : XUE WU ZHANG [Hong Kong] ; YEE LENG YAP [Hong Kong]

Source :

Bioorganic & medicinal chemistry [ 0968-0896 ] ; 2004.

RBID : Pascal:04-0588019

Descripteurs français

Pascal (Inist)
- Relation structure activité, Affinité, Coronavirus, Syndrome respiratoire aigu sévère, Inhibiteur enzyme, Inhibiteur protease, Peptidases, Site fixation, Lopinavir, Ritonavir, Niclosamide, Promazine, Réplication, Phénothiazine dérivé, Interaction moléculaire, Complexe enzyme inhibiteur.

English descriptors

KwdEn :
- Affinity, Binding site, Coronavirus, Enzyme inhibitor, Inhibitor enzyme complex, Lopinavir, Molecular interaction, Niclosamide, Peptidases, Phenothiazine derivatives, Promazine, Protease inhibitor, Replication, Ritonavir, Severe acute respiratory syndrome, Structure activity relation.

Abstract

The SARS-associated coronavirus (SARS-CoV) main proteinase is a key enzyme in viral polyprotein processing. To allow structure-based design of drugs directed at SARS-CoV main proteinase, we predicted its binding pockets and affinities with existing HIV, psychotic and parasite drugs (lopinavir, ritonavir, niclosamide and promazine), which show signs of inhibiting the replication of SARS-CoV. Our results suggest that these drugs and another two HIV inhibitors (PNU and UC2) could be used as templates for designing SARS-CoV proteinase inhibitors.

Affiliations:

Hong Kong

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

to stream PascalFrancis, to step Corpus: 000768
to stream PascalFrancis, to step Curation: 000222
to stream PascalFrancis, to step Checkpoint: 000805
to stream Main, to step Merge: 005F56
to stream Main, to step Curation: 005A98
to stream Main, to step Exploration: 005A98
to stream Psycho, to step Extraction: 000268

Links to Exploration step

Pascal:04-0588019

Le document en format XML

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<term>Molecular interaction</term>
<term>Niclosamide</term>
<term>Peptidases</term>
<term>Phenothiazine derivatives</term>
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<keywords scheme="Pascal" xml:lang="fr"><term>Relation structure activité</term>
<term>Affinité</term>
<term>Coronavirus</term>
<term>Syndrome respiratoire aigu sévère</term>
<term>Inhibiteur enzyme</term>
<term>Inhibiteur protease</term>
<term>Peptidases</term>
<term>Site fixation</term>
<term>Lopinavir</term>
<term>Ritonavir</term>
<term>Niclosamide</term>
<term>Promazine</term>
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<front><div type="abstract" xml:lang="en">The SARS-associated coronavirus (SARS-CoV) main proteinase is a key enzyme in viral polyprotein processing. To allow structure-based design of drugs directed at SARS-CoV main proteinase, we predicted its binding pockets and affinities with existing HIV, psychotic and parasite drugs (lopinavir, ritonavir, niclosamide and promazine), which show signs of inhibiting the replication of SARS-CoV. Our results suggest that these drugs and another two HIV inhibitors (PNU and UC2) could be used as templates for designing SARS-CoV proteinase inhibitors.</div>
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Old drugs as lead compounds for a new disease? Binding analysis of SARS coronavirus main proteinase with HIV, psychotic and parasite drugs

Old drugs as lead compounds for a new disease? Binding analysis of SARS coronavirus main proteinase with HIV, psychotic and parasite drugs

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