Construction of a 3D-shaped, natural product like fragment library by fragmentation and diversification of natural products.

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 3D-shaped, natural product like fragments available from commercial sources. In addition, during the course of these studies, novel rearrangements were discovered for Massarigenin C and Cytochalasin E. The obtained fragment library has an excellent 3D-shape and natural product likeness, covering a novel, unexplored and underrepresented chemical space in fragment based drug discovery (FBDD). Copyright © 2016 Elsevier Ltd. All rights reserved.

Citation

Horst Prescher, Guido Koch, Tim Schuhmann, Peter Ertl, Alex Bussenault, Meir Glick, Ina Dix, Frank Petersen, Dimitrios E Lizos. Construction of a 3D-shaped, natural product like fragment library by fragmentation and diversification of natural products. Bioorganic & medicinal chemistry. 2017 Feb 01;25(3):921-925

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PMID: 28011199

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