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Is it time for biocatalysis in fragment-based drug discovery?

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Abstract

The use of biocatalysts for fragment-based drug discovery has yet to be fully investigated, despite the promise enzymes hold for the synthesis of poly-functional, non-protected small molecules. Here we analyze products of the biocatalysis literature to demonstrate the potential for not only fragment generation, but also the enzyme-mediated elaboration of these fragments. Our analysis demonstrates that biocatalytic products can readily populate 3D chemical space, offering diverse catalytic approaches to help generate new, bioactive molecules.

Acceptance Date Oct 7, 2020
Publication Date Nov 7, 2020
Publicly Available Date Mar 28, 2024
Journal Chemical Science
Print ISSN 2041-6520
Publisher Royal Society of Chemistry
Pages 11104 - 11112
DOI https://doi.org/10.1039/D0SC04103C
Keywords fragment-based drug discovery, biocatalysis, chemistry
Publisher URL https://pubs.rsc.org/en/content/articlelanding/2020/SC/D0SC04103C#!divAbstract

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