Journal of Medicinal Chemistry· 2012Q1
Principles and Applications of Halogen Bonding in Medicinal Chemistry and Chemical Biology
- 1,311citations
- Q1SCImago
- 2012year
Short summary
Halogen bonding, previously overlooked in drug discovery, can be rationally designed to enhance protein-ligand interactions, leading to successful lead identification and optimization.
AI-generated from the title and abstract; the full text is not read.
Key points
- Halogen bonding is a non-covalent interaction increasingly utilized in rational drug design.
- Theoretical principles define the strength and directionality of halogen bonds.
- Systematic analysis shows halogen bonds occur frequently in protein-ligand complexes.
- Recent examples demonstrate successful lead identification and optimization using halogen bonding.
AI-generated from the title and abstract; the full text is not read.
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.
The authors' abstract, as published at the source. Journal of Medicinal Chemistry, 2012 · DOI ↗
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Field: Physical and Theoretical Chemistry
Physical and Theoretical ChemistryChemistry