Ligand efficiency and lead optimization / 药学学报
Acta Pharmaceutica Sinica
;
(12): 1755-1762, 2013.
Artigo
em Chinês
| 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.
Texto completo:
DisponíveL
Índice:
WPRIM (Pacífico Ocidental)
Assunto principal:
Farmacologia
/
Ligação Proteica
/
Receptores de Droga
/
Relação Estrutura-Atividade
/
Termodinâmica
/
Farmacocinética
/
Preparações Farmacêuticas
/
Desenho de Fármacos
/
Estrutura Molecular
/
Química
Tipo de estudo:
Estudo prognóstico
Idioma:
Chinês
Revista:
Acta Pharmaceutica Sinica
Ano de publicação:
2013
Tipo de documento:
Artigo
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