resumo
A tripodal pyridyl-pyrazole based N,N,O donor ligand ( L ) has been designed, and it's copper(II) complex, [Cu(L1)Cl-2](2).(dmpzH)2 ( 1 ) where dmpzH refers protonated dimethylpyrazole, and manganese(II) complex, [Mn(L)(Cl)(2)] ( 2 )] have been synthesized and characterized by a combination of various spectroscopy, Xray crystallography, electrochemical, thermogravimetric and density functional theory. The X-ray structure of 1 showed the copper(II) coordinated by the two sets of NO donors which had been assorted from the ligand ( L ) along with two bridging and one terminal chloride atoms. The distorted square-planar centrosymmetric structure of 1 is further stabilized by the hydrogen bonding with exogenous protonated pyrazole units that had been extracted from L . The title ligand retained its original structure when bound with Mn(II) giving a pseudo-octahedral geometry. The central Mn(II) was coordinated by two pyrazolyl nitrogen (N1, N7), one tertiary amine nitrogen (N3), one carbohydrazide oxygen atom O1, and two exogenous chloride ions in a cis disposition. Cytotoxicity experiments carried out in a series of human cell lines (IMR-32, HepG2 and HeLa) to confirm the apoptotic mechanism of cell death, predominantly in IMR-32. The DNA cleavage studies were then performed in the presence of the synthesized compounds to verify the influence of ligand structural features in their nuclease activity. Complex 2 was able to cause double-strand DNA scissions both in an oxidizing and reducing environment, whereas complex 1 broke the single-strand DNA in a reducing environment only, suggesting its potential anticancer therapeutics. To shed a better understanding of DNA-substrate interaction, a molecular docking study was performed.(C) 2022 Elsevier B.V. All rights reserved.
palavras-chave
TRANSFERRIN RECEPTOR EXPRESSION; COPPER(II) COMPLEX; CRYSTAL-STRUCTURE; IRON(III) COMPLEXES; CU(II) COMPLEXES; IN-VITRO; BINDING; MITOCHONDRIA; MANGANESE; CANCER
categoria
Chemistry
autores
Jana, A; Aher, A; Brandao, P; Sharda, S; Bera, P; Phadikar, U; Manna, SK; Mahapatra, AK; Bera, P
nossos autores
Paula Cristina Ferreira da Silva Brandão
Investigador Auxiliaragradecimentos
P. Bera gratefully acknowledges the Council for Scientific and Industrial Research (CSIR), Government of India for financial support [grant no. 1(2858)/16/EMR -II]. Panskura Banamali College (Autonomous) acknowledges the grants received from the Department of Science and Technology (DST), Govt. of India through FIST program (No.SR-FIST-COLLEGE-295-dt18/11/2015).