Protein wrapping: a molecular marker for association, aggregation and drug design

Chem Soc Rev. 2008 Nov;37(11):2373-82. doi: 10.1039/b804150b. Epub 2008 Sep 15.

Abstract

In this tutorial review we survey the concept of protein wrapping from a physico-chemical perspective. Wrapping is introduced as an indicator of the packing quality of protein structure. Thus, while a well-wrapped protein is sustainable in isolation, a poorly wrapped protein is reliant on binding partnerships to maintain its structural integrity. At a local level, wrapping is indicative of the extent of solvent exposure of the amide-carbonyl hydrogen bonds of the protein backbone. Poorly wrapped hydrogen bonds, the so-called dehydrons, are shown to represent structural vulnerabilities. These singularities are sticky, hence promoters of protein associations. We also focus on severely under-wrapped protein structures that belong to an order/disorder twilight. Such proteins are shown to be prone to aggregate. Finally, we survey the recent exploitation of dehydrons as targetable features to promote specificity in drug-based cancer therapy. Dehydrons prove to be valuable targets to reduce side effects and enhance drug safety.

Publication types

  • Research Support, N.I.H., Extramural
  • Review

MeSH terms

  • Drug Design*
  • Hydrogen Bonding
  • Models, Molecular
  • Protein Conformation*
  • Protein Folding
  • Proteins / chemistry*
  • Proteins / metabolism*
  • Solubility
  • Structure-Activity Relationship
  • Water / chemistry

Substances

  • Proteins
  • Water