Applications of SHAPES Screening in Drug Discovery

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.

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