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

Chemical Science
Jeremy I RamsdenNicholas J Turner

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.

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Citations

Jun 26, 2021·Chemical Science·Max J Caplin, Daniel J Foley

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Methods Mentioned

BETA
X-ray
Suzuki

Software Mentioned

LLAMA ( Lead - Likeness and Molecular Analysis )
FBDD
LLAMA
LOS

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