Lizos, Dimitrios, Prescher, Horst, Koch, Guido, Schuhmann, Tim, Bussenault, Alex, Ertl, Peter, Glick, Meir, Dix, Ina and Zimmermann, Kaspar (2015) Construction of a 3D-shaped, natural product like fragment library by defragmentation and diversification of natural products. Angewandte Chemie International Edition.

Abstract

A fragment library consisting of 3D-shaped, natural product-like fragments was assembled. Library construction was mainly performed by natural product degradation and natural product diversification reactions and was complemented by the identification of available 3D-shape and natural product like fragments from the available commercial sources. During the course of these studies, a novel rearrangement was discovered for Massarigenin C. The obtained fragment library has an excellent 3D-shape and natural product likeness, covering an underexplored and underrepresented chemical space in fragment based drug discovery (FBDD).

Item Type:	Article
Keywords:	Fragment Based Drug Discovery; Natural products; Fragment Library; Natural product likeness; Rearrangement
Date Deposited:	26 May 2016 23:45
Last Modified:	26 May 2016 23:45
URI:	https://oak.novartis.com/id/eprint/23821