Applications of SHAPES screening in drug discovery
CA Lepre, J Peng, J Fejzo… - … Chemistry & High …, 2002 - ingentaconnect.com
Combinatorial Chemistry & High Throughput Screening, 2002•ingentaconnect.com
The SHAPES strategy combines nuclear magnetic resonance (NMR) screening of a library
of small drug-like molecules with a variety of complementary methods, such as virtual
screening, high throughput enzymatic assays, combinatorial chemistry, X-ray
crystallography, and molecular modeling, in a directed search for new medicinal chemistry
leads. In the past few years, the SHAPES strategy has found widespread utility in
pharmaceutical research. To illustrate a variety of different implementations of the method …
of small drug-like molecules with a variety of complementary methods, such as virtual
screening, high throughput enzymatic assays, combinatorial chemistry, X-ray
crystallography, and molecular modeling, in a directed search for new medicinal chemistry
leads. In the past few years, the SHAPES strategy has found widespread utility in
pharmaceutical research. To illustrate a variety of different implementations of the method …
The SHAPES strategy combines nuclear magnetic resonance (NMR) screening of a library of small drug-like molecules with a variety of complementary methods, such as virtual screening, high throughput enzymatic assays, combinatorial chemistry, X-ray crystallography, and molecular modeling, in a directed search for new medicinal chemistry leads. In the past few years, the SHAPES strategy has found widespread utility in pharmaceutical research. To illustrate a variety of different implementations of the method, we will focus in this review on recent applications of the SHAPES strategy in several drug discovery programs at Vertex Pharmaceuticals.
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