C3-Symmetric ligands in drug design: An overview of the challenges and opportunities ahead

Bioorg Med Chem Lett. 2024 May 1:103:129702. doi: 10.1016/j.bmcl.2024.129702. Epub 2024 Mar 13.

Abstract

C3-symmetry is a type of star-shaped molecule consisting of a central core and three symmetrically attached chains. These molecules are used in drug discovery due to their unique three-fold rotational symmetry, which allows for specific binding interactions and improved molecular recognition. In this text, we provide an overview of synthetic approaches with C3-symmetry as a pharmaceutical tool: progress, challenges, and opportunities. C3-symmetric ligands offer both challenges and opportunities in drug design. Their unique symmetry can enhance binding interactions, but careful consideration of rigidity, synthetic complexity, and target compatibility is crucial. Further research and advancements in synthetic methods and modeling tools will likely drive their exploration in drug discovery, leading to the discovery of potent C3-symmetric ligands.

Keywords: Aliphatic core; Aromatic core; C3-symmetric; Cyclic peptides core; Drug design; Homotrimeric.

MeSH terms

  • Drug Design*
  • Drug Discovery*
  • Ligands

Substances

  • Ligands