Induced disorder in protein-ligand complexes as a drug-design strategy.

Abstract excerpt

Protein associations are poorly understood from a chemical perspective. If the contrary were true, drug inhibitors would be routinely designed based on target structure. While enthalpy/entropy balance is critical for affinity optimization, most drug-design strategies focus solely on promoting favorable intermolecular interactions. However, protein-drug associations often entail an entropic penalty, mostly arising...

Topics

Share this publication in a Topic to start or enrich a Post.

• Share to Benzamides
• Share to Drug Design
• Share to Entropy