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

From Europe PMC via Jisc Publications RouterHistory: ppub 2020-10-01, epub 2020-10-07Publication status: PublishedFunder: European Research Council; Grant(s): 742987Funder: Engineering and Physical Sciences Research Council; Grant(s): EP/S01778X/1The 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