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ID: ALA5104152

Journal: Bioorg Med Chem Lett

Title: DNA-encoded library screening on two validated enzymes of the peptidoglycan biosynthetic pathway.

Authors: Proj M, Bozovičar K, Hrast M, Frlan R, Gobec S.

Abstract: Screening of DNA-encoded libraries is an emerging technology for discovering hits against protein targets. With the recent launch of the DELopen platform, a facile screening of 4.4 billion compounds is available to accelerate the drug discovery process. Here we report an affinity-based screening of the DELopen library for the first time. The screening was performed against two bacterial enzymes of the peptidoglycan biosynthetic pathway, N-acetylglucosamine-enolpyruvyl transferase (MurA) and d-alanine:d-alanine ligase (DdlB). Several binders were obtained and selected for off-DNA synthesis. Hits with confirmed inhibitory potency were deconstructed into smaller fragments. In this way, two new MurA inhibitors with antibacterial activity were obtained and are available for further optimization.

CiteXplore: 35917835

DOI: 10.1016/j.bmcl.2022.128915