Swiss Science Concentrates

Cambridge Crystallographic Data Centre Orthogonal dipolar interactions between amide C=O bond dipoles are commonly found in crystal structures of small molecules, proteins, and protein-ligand complexes.In this article, the authors present the experimental quantification of such interactions in solution using a model system based on a molecular torsion balance.The stabilizing free interaction enthalpies in various apolar and polar solvents amount to -2.73 kJ/mol.These attractive dipolar contacts provide a promising tool for smallmolecule crystal design and the enhancement of ligand-protein interactions during lead optimization in medicinal chemistry.

Abstract licence: CC BY-NC

A person counts once a day per paper. We keep no cookie and no address: a reader is a hash that changes every day. Any month under five reads shows no number.