Copper(ii) complexes of 2-methyl-8-hydroxyquinoline and tri/diimine co-ligand: DFT calculations, DNA and BSA binding, DNA cleavage, cytotoxicity and induction of apoptosis

Abstract

The mixed ligand copper(II) complexes [Cu(terpy)(mq)]ClO4 (1) and [Cu(phen)(mq)]ClO4 (2), where terpy = 2,2’:6’,2’’-terpyridine, phen = 1,10-phenanthroline and H(mq) = 2-methyl-8-hydroxyquinoline have been synthesised. The crystal structure of 1 discloses...

Copper(ii) complexes of the CuN4S core: selective cytotoxicity to cancerous cells, ROS generation and induction of apoptosis

“…These spectral characteristics point to the coordination of thiolate sulfur at the equatorial site of the square plane. The N(π) → Cu( ii ) LMCT transition 65 is characterized by an intense band at 393 nm for 1 , 3 , 5 and 7 . Copper( ii ) complexes ( 1–8 ) were readily soluble in solvents like MeOH, MeCN, DMF and DMSO.…”

“…[61][62][63] The magnetic moments of the complexes at room temperature are in the range of 1.79-1.81, which are equivalent to one unpaired electron. [64][65][66] The complex cation [Cu(L)(phen)] + is seen as the base peak of the complexes at m/z 453.1 (1), 467.0 (2), 529.1 (3), 503.0 (4), 504.0 (5), 456.0 (6), 506.1 (7), and 495.1 (8) in the HRMS results (Fig. S17-S32, ESI †).…”

Investigations on a mononuclear Cu(ii) Schiff base complex: theoretical calculations, catechol oxidase activity, and protein binding interaction analysis

“…1–8 Schiff bases have gained great importance due to their wide range of applications, such as anticancer, 9,10 anti-inflammatory, 11,12 antimicrobial, 1,13,14 antioxidant, 15,16 photophysical, 17,18 optical, 19,20 catalytic 21,22 and electrochemical properties. 23,24 Among all the inorganic transition metal ions copper( ii )-containing compounds with an advanced mode of design have been explored for various catalytic activities, protein–complex binding studies, DNA binding and cleavage activities, 25–27 and antimicrobial activities. 28,29 Furthermore, current research investigations have displayed enormous interest in the apprehension of these activities at the molecular level and these sorts of investigations are pushing forward to the development of new biomimetic and bioinspired chemistry.…”

“…The most stable interaction with BSA had an energy minimum of À8.6 kcal mole À1 with ''0'' RMSD. DNA binding and cleavage activities, [25][26][27] and antimicrobial activities. 28,29 Furthermore, current research investigations have displayed enormous interest in the apprehension of these activities at the molecular level and these sorts of investigations are pushing forward to the development of new biomimetic and bioinspired chemistry.…”

DFT Calculation of the Structure of Copper Complexes

“…Известно, что результаты расчётов методом DFT в значительной степени зависят от выбора функционала [4,5]. Анализ литературных данных показывает, что при моделировании комплексов меди(II) чаще всего используют функционал B3LYP [6][7][8][9][10][11][12].…”