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On the design of lead-like DNA-encoded chemical libraries

Lookup NU author(s): Dr Isaline Castan, Dr Jessica Graham, Dr Catherine Salvini, Dr Harriet Stanway-Gordon, Professor Mike Waring



This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License (CC BY-NC-ND).


DNA-encoded libraries (DELs) are becoming an established technology for finding ligands for protein targets. We have abstracted and analysed libraries from the literature to assess the synthesis strategy, selections of reactions and monomers and their propensity to reveal hits. DELs have led to hit compounds across a range of diverse protein classes. The range of reactions and monomers utilised has been relatively limited and the hits are often higher in molecular weight than might be considered ideal. Considerations for future library designs with reference to chemical diversity and lead-like properties are discussed.

Publication metadata

Author(s): Castan IFSF, Graham JS, Salvini CLA, Stanway-Gordon HA, Waring MJ

Publication type: Article

Publication status: Published

Journal: Bioorganic and Medicinal Chemistry

Year: 2021

Volume: 43

Print publication date: 01/08/2021

Online publication date: 10/06/2021

Acceptance date: 04/06/2021

Date deposited: 08/07/2021

ISSN (print): 0968-0896

ISSN (electronic): 1464-3391

Publisher: Elsevier


DOI: 10.1016/j.bmc.2021.116273


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Funder referenceFunder name
C2115/A21421Cancer Research UK CRUK (closed comp)
EPSRC CASE Studentship