Synthesis and crystal structure of new dicopper(II) complexes having asymmetric N,N′-bis(substituted)oxamides with DNA/protein binding ability: In vitro anticancer activity and molecular docking studies

摘要: Abstract Two new dicopper(II) complexes bridged by asymmetric N,N′-bis(substituted)oxamide ligands: N-(5-chloro-2-hydroxyphenyl)-N′-[2-(dimethylamino)ethyl]oxamide (H3chdoxd) and N-hydroxypropyl-N′-(2-carboxylatophenyl)oxamide (H3oxbpa), end-capped with 2,2′-bipyridine (bpy), namely [Cu2(ClO4)(chdoxd)(CH3OH)(bpy)]·H2O (1) [Cu2(pic)(oxbpa)(CH3OH)(bpy)]·0.5CH3OH (2) (pic denotes picrate anion), have been synthesized characterized elemental analysis, molar conductivity measurement, IR electronic spectral studies, single-crystal X-ray diffraction. The diffraction analysis revealed that both the copper(II) ions cis-oxamido ligands in 1 2 are all square-pyramidal environments corresponding Cu⋯Cu separations of 5.194(3) 5.1714(8) A, respectively. In crystals two complexes, there abundant hydrogen bonds π–π stacking interactions contributing to supramolecular structure. reactivities toward herring sperm DNA (HS-DNA) bovine serum albumin (BSA) studied theoretically experimentally, indicating can interact mode intercalation, effectively bind BSA via favored binding sites Trp134 for complex Trp213 2. Interestingly, vitro anticancer activities against selected tumor cell lines consistent their DNA/BSA-binding affinities following order 1 > 2. effects coordinated counterions on ability activity preliminarily discussed.