CK2 is a vital enzyme that phosphorylates a large number of substrates and thereby controls
many processes in the body. Its upregulation was reported in many cancer types. Inhibitors …

Protein kinase CK2 is a potential target for the discovery of anticancer drugs. Flavonoids are
reported to be effective CK2 inhibitors. Herein, based on structural trimming of flavonoids, a …

Analysis of 664 known structures of protein kinase complexes with halogenated ligands
revealed 424 short contacts between a halogen atom and a potential protein X-bond …

Binding of a family of brominated benzotriazoles to the catalytic subunit of human protein
kinase CK2 (hCK2α) was used as a model system to assess the contribution of halogen …

The new halogenated 1H-triazolo [4, 5-b] pyridines and 1H-imidazo [4, 5-b] pyridines were
synthesised as analogues of known CK2 inhibitors: 4, 5, 6, 7-tetrabromo-1H-benzotriazole …

Histidine residues contribute to numerous molecular interactions, owing to their structure
with the ionizable aromatic side chain with pKa close to the physiological pH. Herein, we …

Abstract Protein kinase 2 (CK2), a member of the serine/threonine kinase family, has been
established as a promising target in anticancer therapy. New derivatives of known CK2 …

The electronic effects in supramolecular systems are a great challenge for computational
chemistry, and the understanding of ligand-protein interactions driven by halogen bonds can …

Halogenated heterocyclic ligands are widely used as the potent and frequently selective
inhibitors of protein kinases. However, the exact contribution of the hydrophobic solvation of …

The interaction of human CK2α (hCK2α) with nine halogenated benzotriazoles, TBBt and its
analogues representing all possible patterns of halogenation on the benzene ring of …