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

Prescher, Horst and Koch, Guido and Schuhmann, Tim and Ertl, Peter and Bussenault, Alex and Glick, Meir and Dix, Ina and Lizos, Dimitrios (2016) Construction of a 3D-shaped, natural product like fragment library by fragmentation and diversification of natural products. Bioorganic and medicinal chemistry. ISSN 09680896

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 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 an underexplored and underrepresented chemical space in fragment based drug discovery (FBDD).

Item Type: Article
Date Deposited: 14 Dec 2016 00:45
Last Modified: 14 Dec 2016 00:45
URI: https://oak.novartis.com/id/eprint/31236

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