Approaching Target Selectivity by De Novo Drug Design.
Expert Opin Drug Discov
; 14(8): 791-803, 2019 08.
Article
em En
| MEDLINE
| ID: mdl-31179763
ABSTRACT
Introduction:
The development of drug candidates with a defined selectivity profile and a unique molecular structure is of fundamental interest for drug discovery. In contrast to the costly screening of large substance libraries, the targeted de novo design of a drug by using structural information of either the biological target and/or structure-activity relationship data of active modulators offers an efficient and intellectually appealing alternative. Areas covered This review provides an overview on the different techniques of de novo drug design (ligand-based drug design, structure-based drug design, and fragment-based drug design) and highlights successful examples of this targeted approach toward selective modulators of therapeutically relevant targets. Expert opinion De novo drug design has established itself as a very efficient method for the development of potent and selective modulators for a variety of different biological target classes. The ever-growing wealth of structural data on therapeutic targets will certainly further enhance the importance of de novo design for the drug discovery process in the future. However, a consistent use of the terminology of de novo drug design in the scientific literature should be sought.Palavras-chave
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Desenho de Fármacos
/
Terapia de Alvo Molecular
/
Desenvolvimento de Medicamentos
Tipo de estudo:
Prognostic_studies
Limite:
Humans
Idioma:
En
Revista:
Expert Opin Drug Discov
Ano de publicação:
2019
Tipo de documento:
Article
País de afiliação:
Suíça