Principles and Applications of Halogen Bonding in Medicinal Chemistry and Chemical Biology

Citations Over TimeTop 1% of 2012 papers

Abstract

Halogen bonding has been known in material science for decades, but until recently, halogen bonds in protein-ligand interactions were largely the result of serendipitous discovery rather than rational design. In this Perspective, we provide insights into the phenomenon of halogen bonding, with special focus on its role in drug discovery. We summarize the theoretical background defining its strength and directionality, provide a systematic analysis of its occurrence and interaction geometries in protein-ligand complexes, and give recent examples where halogen bonding has been successfully harnessed for lead identification and optimization. In light of these data, we discuss the potential and limitations of exploiting halogen bonds for molecular recognition and rational drug design.

Related Papers

• → Halogen bond tunability I: the effects of aromatic fluorine substitution on the strengths of halogen-bonding interactions involving chlorine, bromine, and iodine(2011)400 cited
• → Competition between hydrogen and halogen bonding in halogenated 1‐methyluracil: Water systems(2016)27 cited
• → Halogen substituted quinolylsalicylaldimines: Four halogens three structural types(2012)26 cited
• Halogen bonding : impact on materials chemistry and life sciences(2015)
• → Isostructural Halogen Exchange and Halogen Bonds: The Case of N-(4-Halogenobenzyl)-3-halogenopyridinium Halogenides(2022)17 cited