Ligand efficiency and lead optimization / 药学学报
Acta Pharmaceutica Sinica
;
(12): 1755-1762, 2013.
Article
Dans Chinois
| WPRIM
| ID: wpr-298014
ABSTRACT
Pharmacological activity and druggability are two pivotal factors in drug innovation, which are respectively determined by the microscopic structure and macroscopic property of a molecule. Since structural optimization consists in a molecular operation in the space with multi-dimensions, and there exists a body of uncertainties for transduction from in vitro activity into in vivo pharmacological response. It is necessary for early stage in lead optimization to evaluate compound quality or efficiency using a kind of metrics containing multi-parameters. On the basis of the describing parameters of activity and druggability, this overview deals with the roles of thermodynamic signatures and binding kinetics of drug-receptor interactions in optimizing quality of compounds, signifying the significance in optimization of microscopic structures for drug discovery.
Texte intégral:
Disponible
Indice:
WPRIM (Pacifique occidental)
Sujet Principal:
Pharmacologie
/
Liaison aux protéines
/
Récepteurs des médicaments
/
Relation structure-activité
/
Thermodynamique
/
Pharmacocinétique
/
Préparations pharmaceutiques
/
Conception de médicament
/
Structure moléculaire
/
Chimie
Type d'étude:
Étude pronostique
langue:
Chinois
Texte intégral:
Acta Pharmaceutica Sinica
Année:
2013
Type:
Article
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