Copper(II) pseudohalide complexes with isomeric N₂O donor Schiff base ligands: Synthesis, characterization and molecular dynamics simulations of interactions with DNA

Abstract

Two new square planar copper(II) complexes, [Cu(L 1 )(NCO)] (1) and [Cu(L 2 )(N 3 )] (2), where HL 1 = 1-(-1-(2-(diethylamino)ethylimino)ethyl)naphthalen-2-ol and HL 2 = 2-(-(2-(diethylamino) ethylimino)methyl)naphthalen-1-ol, have been synthesized and characterized by elemental analysis, IR, UV-VIS and single-crystal X-ray diffraction studies. Interaction of the complexes with calf thymus DNA (c t DNA) was studied by UV-VIS spectroscopy that revealed complex 2 had a slightly greater affinity for DNA. The mode of binding for both complexes was by the process of intercalation as confirmed by monitoring the fluorescence during a reverse titration on calf thymus DNA earlier saturated with ethidium bromide (a well-established DNA intercalator). The overall binding constant (K*) were 5.36 x 10 4 and 17.91 x 10 4 for complexes 1 and 2 respectively. The binding mode for complex 1, using a generic dodecamer fragment of the DNA used was modeled using molecular dynamics (MD), with results that were consistent with experimental observations.[a] S.

Phosphatase Mimicking Activity of Two Zinc(II) Schiff Base Complexes with Zn2O2 Cores: NBO Analysis and MEP Calculation to Estimate Non‐Covalent Interactions

“…The bands in the range of 2792–2995 cm −1 due to alkyl C–H bond stretching vibrations are customarily noticed in the IR spectra of both complexes . A strong band at 2220 cm −1 (in 1 ) indicates the presence of terminal azide …”

Chirality‐Induced Variation in Interaction of Two Similar Copper(II) Coordination Polymers with Calf Thymus DNA: Exploration of Their Antimicrobial Activity and Cytotoxicity

“…As complex 1 is chiral (complex 1 crystallizes in chiral space group) and complex 2 is achiral, it may be concluded that the chirality of complex 1 played very significant role to binding of chiral DNA molecule. It could also be found in literature that when two complexes were otherwise similar structurally, a chiral complex had a greater affinity for DNA …”