TY - JOUR
T1 - NMR in target driven drug discovery
T2 - why not?
AU - Keiffer, Sébastien
AU - Carneiro, Marta G.
AU - Hollander, Johan
AU - Kobayashi, Masakazu
AU - Pogoryelev, Denys
AU - Ab, Eiso
AU - Theisgen, Stephan
AU - Müller, Gerhard
AU - Siegal, Gregg
PY - 2020/11
Y1 - 2020/11
N2 - 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.
AB - 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.
KW - Biophysics
KW - Fragment based drug discovery
KW - Small molecule drug discovery
KW - Structure based drug design
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U2 - 10.1007/s10858-020-00343-9
DO - 10.1007/s10858-020-00343-9
M3 - Article
C2 - 32901320
AN - SCOPUS:85090308513
SN - 0925-2738
VL - 74
SP - 521
EP - 529
JO - Journal of Biomolecular NMR
JF - Journal of Biomolecular NMR
IS - 10-11
ER -
