关键词: DNA combinatorial chemistry compound libraries drug discovery photocatalysis

Mesh : Catalysis Combinatorial Chemistry Techniques DNA / chemistry Drug Design Gene Library Photochemical Processes Small Molecule Libraries / chemical synthesis chemistry

来  源:   DOI:10.1002/tcr.202000148   PDF(Sci-hub)

Abstract:
This Personal Account describes the authors\' foray into DNA-encoded libraries. The article addresses several key aspects of this hit generation technology, from the development of new synthetic methodology to the subsequent conception, design, and delivery of a DNA-encoded library. In particular, we have been engaged in adapting photocatalytic reactions to the idiosyncratic requirements of DNA-encoded chemistry. We have chosen one such methodology, namely a photocatalytic [2+2] cycloaddition reaction, to showcase how we employed property-based computational analyses to guide the selection and validation of building blocks for the production of a library. Ultimately, these novel bond disconnections and design principles led to the assembly of a DNA-encoded library that is composed of structurally diverse compounds within largely desirable property space and, therefore, well positioned to deliver novel chemical matter for drug discovery programs.
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