N-substitution in isatin thiosemicarbazones decides nuclearity of Cu(II) complexes - Spectroscopic, molecular docking and cytotoxic studies.
Cu(II) complexes
Cytotoxicity
Molecular docking
Spectroscopy
Theoretical calculations
Thiosemicarbazones
Journal
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
ISSN: 1873-3557
Titre abrégé: Spectrochim Acta A Mol Biomol Spectrosc
Pays: England
ID NLM: 9602533
Informations de publication
Date de publication:
05 Feb 2021
05 Feb 2021
Historique:
received:
22
07
2020
revised:
08
09
2020
accepted:
14
09
2020
pubmed:
6
10
2020
medline:
15
5
2021
entrez:
5
10
2020
Statut:
ppublish
Résumé
The mono- (1) and bi-nuclear (2) copper(II) complexes containing N-substituted isatin thiosemicarbazone(s) were synthesized, and characterized by analytical and spectroscopic (UV-Visible, FT-IR and EPR) techniques. Bimetallic nature of complex 2 was confirmed by single crystal X-ray crystallography. The structures predicted by spectroscopic and crystallographic methods were validated by computational studies. From the spectroscopic, crystallographic and computational data, the structures were found to be distorted square planar for 1 and distorted square pyramidal for 2. Molecular docking studies showed hydrogen bonding and hydrophobic interactions of the complexes with tyrosinase kinase receptors. Complex 1 exhibited promising cytotoxic activity against Jurkat (leukemia) cell line, and complex 2 displayed more activity against HeLa S3 (cervical) and Jurkat cell lines with the IC
Identifiants
pubmed: 33017789
pii: S1386-1425(20)30942-2
doi: 10.1016/j.saa.2020.118963
pii:
doi:
Substances chimiques
Antineoplastic Agents
0
Coordination Complexes
0
Thiosemicarbazones
0
Copper
789U1901C5
Isatin
82X95S7M06
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
118963Informations de copyright
Copyright © 2020 Elsevier B.V. All rights reserved.
Déclaration de conflit d'intérêts
Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.