abstract
The reaction between 4-(2-bromoacetyl)benzonitrile and 2-benzoylpyridine thiosemicarbazone produces a tridentate NNN ligand, 4-(2-(2-(phenyl(pyridine-2-yl)methylene)hydrazinyl)thiazole-4-yl)benzonitrile (ppytbH). The ligand constructs an octahedral complex with composition [Co(ppytbH)(2)](ClO4)(2)center dot 3(H2O) (1) when reacted with cobalt(II) perchlorate salt in acetonitrile methanol (1:1) solution. The structures of ppytbH and 1 have been established by single X-ray crystallography, spectroscopic (H-1 NMR, IR, UVVisible and fluorescence), thermal and electrochemical methods. The chemical reactivity and HOMO- LUMO energy of the compounds have been calculated using Density Functional Theory (DFT). The compounds ppytbH and 1 exhibit potential anticancer activity against U937 human monocytic cells and IC50 values are found 12.76 +/- 0.75 and 12.83 +/- 1.37 mu M, respectively. The fluorescence and molecular docking study interpret the intercalative DNA binding mode with the titled molecules. (C) 2020 Elsevier B.V. All rights reserved.
keywords
X-RAY CRYSTALLOGRAPHY; CU(II) COMPLEXES; FLUORESCENCE; DESIGN; LIGAND; ANTIBACTERIAL; LARGAZOLE; NI(II); CO(II); AGENTS
subject category
Chemistry, Physical
authors
Bera, P; Aher, A; Brandao, P; Manna, SK; Bhattacharyya, I; Pramanik, C; Mandal, B; Das, S; Bera, P
our authors
Paula Cristina Ferreira da Silva Brandão
Assistant Researcheracknowledgements
P. Bera gratefully acknowledges to 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 Department of Science and Technology (DST), Govt. of India through FIST program (No.SR-FIST-COLLEGE-295-dt18/11/2015).