Trends on Potential Boron-containing Drugs by Advancements in Ligand-protein Crystals Complexes.

Background: Boron-containing compounds (BCC) are attracting attention in drug design. Certain chemical features invite the exploration of efficacious interactions on known and potential drug targets for human use.

Objective: The objective of this study is to analyze the reported crystal structure studies to determine trends resulting from the inclusion of boron atoms in potential drugs.

Methods: Published data in the Protein Data Bank (PDB) with at least one BCC were analyzed; both ligands and targets were analyzed to describe the inferred or reported biological activity and the potential application as a drug in the treatment of human diseases.

Results: Data from the PDB indicated targets for certain infectious diseases and cancers; however, potential treatments may extend to many other human pathologies as a consequence of the careful analysis of BCCs with proteins. All classes of enzymes and receptors have been crystallized with BCCs as ligands with most complexes demonstrating interactions in the regions known as relevant to protein function.

Conclusion: The number of crystallized BCC-proteins complexes is increasing, and the variability of proteins expands the possibilities of medical applications. Currently, most systems are related to cancer growth and treatment, but deeper analysis may expand BCC utility and efficacy to many other chronic and degenerative diseases.