Your browser doesn't support javascript.
loading
Montrer: 20 | 50 | 100
Résultats 1 - 1 de 1
Filtrer
Plus de filtres











Base de données
Gamme d'année
1.
Future Med Chem ; 12(20): 1815-1828, 2020 10.
Article de Anglais | MEDLINE | ID: mdl-32787684

RÉSUMÉ

Aim: The identification of drugs for the coronavirus disease-19 pandemic remains urgent. In this manner, drug repurposing is a suitable strategy, saving resources and time normally spent during regular drug discovery frameworks. Essential for viral replication, the main protease has been explored as a promising target for the drug discovery process. Materials & methods: Our virtual screening pipeline relies on the known 3D properties of noncovalent ligands and features of crystalized complexes, applying consensus analyses in each step. Results: Two oral (bedaquiline and glibenclamide) and one buccal drug (miconazole) presented 3D similarity to known ligands, reasonable predicted binding modes and micromolar predicted binding affinity values. Conclusion: We identified three approved drugs as promising inhibitors of the main viral protease and suggested design insights for future studies for development of novel selective inhibitors.


Sujet(s)
Antiviraux/pharmacologie , Betacoronavirus/enzymologie , Infections à coronavirus/traitement médicamenteux , Découverte de médicament , Pneumopathie virale/traitement médicamenteux , Inhibiteurs de protéases/pharmacologie , Protéines virales non structurales/antagonistes et inhibiteurs , Antiviraux/composition chimique , Betacoronavirus/effets des médicaments et des substances chimiques , COVID-19 , Protéases 3C des coronavirus , Infections à coronavirus/virologie , Cysteine endopeptidases/métabolisme , Diarylquinoléines/composition chimique , Diarylquinoléines/pharmacologie , Conception de médicament , Glibenclamide/composition chimique , Glibenclamide/pharmacologie , Humains , Ligands , Miconazole/composition chimique , Miconazole/pharmacologie , Modèles moléculaires , Simulation de docking moléculaire , Pandémies , Pneumopathie virale/virologie , Inhibiteurs de protéases/composition chimique , SARS-CoV-2 , Protéines virales non structurales/métabolisme
SÉLECTION CITATIONS
DÉTAIL DE RECHERCHE