Library Design Strategies To Accelerate Fragment-Based Drug Discovery.
Chemistry
; 26(50): 11391-11403, 2020 Sep 04.
Article
em En
| MEDLINE
| ID: mdl-32339336
ABSTRACT
Fragment-based drug discovery (FBDD) has become an established approach for the generation of early lead candidates. However, despite its success and inherent advantages, hit-to-candidate progression for FBDD is not necessarily faster than that of traditional high-throughput screening. Thus, new technology-driven library design strategies have emerged as a means to facilitate more efficient fragment screening and/or subsequent fragment-to-hit chemistry. This minireview discusses such strategies, which cover the use of labeled fragments for NMR spectroscopy, X-ray crystallographic screening of specialized fragments, covalent linkage for mass spectrometry, dynamic combinatorial chemistry, and fragments optimized for easy elaboration.
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MEDLINE
Assunto principal:
Descoberta de Drogas
/
Ensaios de Triagem em Larga Escala
Idioma:
En
Ano de publicação:
2020
Tipo de documento:
Article