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.
Combinatorial Chemistry & High Throughput Screening
Title: Applications of SHAPES Screening in Drug Discovery
Volume: 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
Affiliation:
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.
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Cite this article as:
Christopher A. Lepre , Jeffrey Peng , Jasna Fejzo , Norzehan Abdul-Manan , Jennifer Pocas , Marc Jacobs , Xiaoling Xie and Jonathan M. Moore , Applications of SHAPES Screening in Drug Discovery, Combinatorial Chemistry & High Throughput Screening 2002; 5 (8) . https://dx.doi.org/10.2174/1386207023329950
DOI https://dx.doi.org/10.2174/1386207023329950 |
Print ISSN 1386-2073 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-5402 |
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