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Applications of SHAPES Screening in Drug Discovery

[ Vol. 5 , Issue. 8 ]

Author(s):

Christopher A. Lepre, Jeffrey Peng, Jasna Fejzo, Norzehan Abdul-Manan, Jennifer Pocas, Marc Jacobs, Xiaoling Xie and Jonathan M. Moore   Pages 583 - 590 ( 8 )

Abstract:


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.

, Applications, of, SHAPES, Screening, in, Drug, Discovery

Affiliation:

Vertex Pharmaceuticals, Incorporated, 130 Waverly Street, Cambridge MA 02139-4242, USA.



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