Exploration of bromodomain ligand-linker conjugation sites for efficient CBP/p300 heterobifunctional degrader activity

Bioorg Med Chem Lett. 2024 Apr 1:102:129676. doi: 10.1016/j.bmcl.2024.129676. Epub 2024 Feb 24.

Abstract

Synthesis of proteolysis targeting chimeras (PROTACs) involves conjugation of an E3 ligase binding ligand to a ligand targeting a protein of interest via a rigid or flexible chemical linker. The choice of linker conjugation site on these ligands can be informed by structural analysis of ligand-target binding modes, the feasibility of synthetic procedures to access specific sites, and computational modeling of predicted ternary complex formations. Small molecules that target bromodomains - epigenetic readers of lysine acetylation - typically offer several potential options for linker conjugation sites. Here we describe how varying the linker attachment site (exit vector) on a CBP/p300 bromodomain ligand along with linker length affects PROTAC degradation activity and ternary complex formation. Using kinetic live cell assays of endogenous CBP and p300 protein abundance and bead-based proximity assays for ternary complexes, we describe the structure-activity relationships of a diverse library of CBP/p300 degraders (dCBPs).

Keywords: Acetyltransferase; CBP; PROTAC; Ternary complex; p300.

MeSH terms

  • Ligands
  • Protein Binding
  • Protein Domains
  • Proteins*
  • Proteolysis
  • Structure-Activity Relationship
  • Ubiquitin-Protein Ligases*

Substances

  • Ligands
  • Proteins
  • Ubiquitin-Protein Ligases