In-silico ADME Studies for New Drug Discovery: From Chemical Compounds to Chinese Herbal Medicines.
Curr Drug Metab
; 18(6): 535-539, 2017 Jul 21.
Article
en En
| MEDLINE
| ID: mdl-28302029
ABSTRACT
Nowadays, in silico tools are widely used to provide the potential structure of the metabolites formed depending on the site of metabolism. These methods can also highlight the molecular moieties that help to direct the molecule into the cytochrome cavity so that the site of metabolism is in proximity to the catalytic center. In this minireview, we summarized three aspects of the in silico methods in the application of prediction of ADME (absorption, distribution, metabolism and excretion) properties of compounds structure-based approaches for predicting molecular modeling of drug metabolizing enzymes; in silico metabolite prediction; and pharmacophore models for analysis substrate specificity. Moreover, we also extended the in silico studies in Chinese herbal medicines (CHM) research.
Palabras clave
Texto completo:
1
Bases de datos:
MEDLINE
Medicinas Tradicionales:
Medicinas_tradicionales_de_asia
/
Medicina_china
Asunto principal:
Medicamentos Herbarios Chinos
Tipo de estudio:
Prognostic_studies
Idioma:
En
Revista:
Curr Drug Metab
Año:
2017
Tipo del documento:
Article
País de afiliación:
China