Interaction of a ruthenium(II)–chalcone complex with double stranded DNA: Spectroscopic, molecular docking and nuclease properties

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

“…After satisfactory spectroscopy and viscosity studies, the two complexes were docking into the DNA duplex of sequence d(ACCGACGTCGGT) 2 dodecamer. The docking results are presented as binding free energy [60], listed in Table 4, from which it can be seen that the binding free energy values of the two complexes are negative, indicating that the binding of two complexes to DNA is spontaneous [61]. Moreover, the lower binding free energy of the complex 1 compared to that of the complex 2 suggested that the DNA-binding affinity of the complex 1 is stronger than the complex 2.…”

Synthesis, structures, nuclease activity, cytotoxicity, DFT and molecular docking studies of two nitrato bridged homodinuclear (Cu-Cu, Zn-Zn) complexes containing 2,2′-bipyridine and a chalcone derivative

“…Thus, based on such precedence, and in view of remarkable DNA binding, cleavage and cytotoxicity [20,21] exhibited by copper bipyridine complexes planar aromatic organics species such as 2,2′ bipyridine was selected as a ligand. The selectivity of a hydroxyl chalcone embedded with a conjugated anthracenyl fra-meworks as ligand was also considered important owing to its phar-maceutical importance [22] and ability to act as bidentate O,O' donor which may probably involve in the construction of H-bonded networks in view of our earlier report [23,24]. Thus, in anticipation of some new unprecedented structural frame works, it was thought worthwhile to condense a chalcone LH (protonated form of L) separately with Cu(bpy) (NO3)2•H2O and Zn(bpy)(NO3)2•H2O.…”

Synthesis, structure and in vitro antiproliferative activities of oxamido‐bridged dicopper(II) complexes: A comparative study of experimental evidence and molecular docking of DNA/protein binding

“…The docking results, presented as binding free energy, are listed in Table . The binding free energy values of the two dicopper(II) complexes, which is mainly dominated by the vdW_hb_desolv energy, are negative, indicating that the DNA binding events of the two complexes like ellipticine are spontaneous . Moreover, it is noteworthy that the binding free energy values of both complexes are lower than that of ellipticine (Δ G binding = −8.71 kcal mol −1 ), suggesting that both complexes have stronger DNA intercalating ability than ellipticine, demonstrating the existence of the intercalative mode between the two complexes and DNA.…”