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J Biomol NMR ; 74(10-11): 521-529, 2020 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-32901320

RESUMO

No matter the source of compounds, drug discovery campaigns focused directly on the target are entirely dependent on a consistent stream of reliable data that reports on how a putative ligand interacts with the protein of interest. The data will derive from many sources including enzyme assays and many types of biophysical binding assays such as TR-FRET, SPR, thermophoresis and many others. Each method has its strengths and weaknesses, but none is as information rich and broadly applicable as NMR. Here we provide a number of examples of the utility of NMR for enabling and providing ongoing support for the early pre-clinical phase of small molecule drug discovery efforts. The examples have been selected for their usefulness in a commercial setting, with full understanding of the need for speed, cost-effectiveness and ease of implementation.


Assuntos
Descoberta de Drogas/métodos , Ressonância Magnética Nuclear Biomolecular/métodos , Proteínas/química , Cristalografia/métodos , Ensaios de Triagem em Larga Escala , Ligantes , Proteínas/isolamento & purificação , Relação Quantitativa Estrutura-Atividade , Bibliotecas de Moléculas Pequenas/química , Soluções/química
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