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

Authors :: Prescher H
Koch G
Schuhmann T
Ertl P
Bussenault A
Glick M
Dix I
Petersen F
Lizos DE
Source :: Bioorganic & medicinal chemistry [Bioorg Med Chem] 2017 Feb 01; Vol. 25 (3), pp. 921-925. Date of Electronic Publication: 2016 Dec 08.
Publication Year :: 2017
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 a novel, unexplored and underrepresented chemical space in fragment based drug discovery (FBDD).<br /> (Copyright © 2016 Elsevier Ltd. All rights reserved.)

Subjects :: Biological Products chemical synthesis
Crystallography, X-Ray
Cytochalasins chemical synthesis
Drug Discovery
Lactones chemical synthesis
Models, Molecular
Molecular Structure
Small Molecule Libraries chemical synthesis
Spiro Compounds chemical synthesis
Biological Products chemistry
Cytochalasins chemistry
Lactones chemistry
Small Molecule Libraries chemistry
Spiro Compounds chemistry

Full Text Access

Tools