Disubstituted 1-aryl-4-aminopiperidine library synthesis using computational drug design and high-throughput batch and flow technologies.
ACS Comb Sci
; 15(9): 503-11, 2013 Sep 09.
Article
em En
| MEDLINE
| ID: mdl-23927004
ABSTRACT
A platform that incorporates computational library design, parallel solution-phase synthesis, continuous flow hydrogenation, and automated high throughput purification and reformatting technologies was applied to the production of a 120-member library of 1-aryl-4-aminopiperidine analogues for drug discovery screening. The application described herein demonstrates the advantages of computational library design coupled with a flexible, modular approach to library synthesis. The enabling technologies described can be readily adopted by the traditional medicinal chemist without extensive training and lengthy process development times.
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1
Base de dados:
MEDLINE
Assunto principal:
Piperidinas
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Desenho de Fármacos
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Permeabilidade da Membrana Celular
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Bibliotecas de Moléculas Pequenas
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Simulação de Dinâmica Molecular
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Ensaios de Triagem em Larga Escala
Idioma:
En
Ano de publicação:
2013
Tipo de documento:
Article