Yunxiang Lu

TL;DR: It is suggested that albeit halogenation is a valuable approach for improving ligand bioactivity, more attention should be paid in the future to the application of the halogen bond for ligand ADME/T property optimization.

TL;DR: This review article covers the recent advances relevant to halogen bonding in drug discovery and biological design over the past decade, including database survey of this interaction in protein–ligand complexes, molecular mechanical investigations of halogen bonded ligands in drugiscovery and applications ofThis interaction in the development of Halogenated ligands as inhibitors and drugs for protein kinases, serine protease factor Xa, HIV reverse transcriptase and so on.

TL;DR: X-ray crystal structures verified the existence of the predicted halogen bonds, demonstrating that the halogen bond is an applicable tool in drug design and should be routinely considered in lead optimization.

TL;DR: Fundamental characteristics of halogen bonding in media are established, which would be very helpful for applying this noncovalent interaction in medicinal chemistry and material design.

TL;DR: 1,4-diiodo-perfluorobenzene, a very effective building block for crystal engineering based on halogen bonding, is selected in this work both as electron-deficient π aromatic ring and as halogen bond donor.