Heteroleptic metal(II) complexes of hydrotris(methimazolyl)borate and diimines: Synthesis, theoretical calculations, antimicrobial, antioxidant, in vitro cytotoxicity and molecular docking studies. (August 2017)

• Record Type: Journal Article
• Authors: Jayakumar, S.; Mahendiran, D.; Rehana, Dilaveez; Kalilur Rahiman, A.
• Is Part Of: Microbial pathogenesis. Volume 109(2017)
• Page Start: 120
• Page End: 130
• Publication Date: 2017-08
• Subjects: Scorpionate ligand -- Heteroleptic complexes -- Antimicrobial activity -- Antioxidant activity -- Cytotoxicity; Pathogenic microorganisms -- Periodicals; Pathology, Molecular -- Periodicals; Communicable Diseases -- microbiology -- Periodicals; Communicable Diseases -- parasitology -- Periodicals; Micro-organismes pathogènes -- Périodiques; Pathologie moléculaire -- Périodiques; Electronic journals; 616.9041
• DOI: 10.1016/j.micpath.2017.05.024
• Languages: English
• ISSNs: 0882-4010

Abstract

Abstract: A series of heteroleptic metal(II) complexes of formulation [M(Tm)(diimine)](ClO4 ) (1–8 ), [Tm = hydrotris(methimazolyl)borate, diimine = 2, 2'-bipyridyl or 1, 10-phenanthroline and M = Mn(II), Ni(II), Cu(II) or Zn(II)] have been synthesized and characterized by spectroscopic methods. The geometric parameters of the complexes were determined using UV–Vis spectroscopy and DFT calculations. The analyses of HOMO and LUMO have been used to explain the charge transfer within the molecule. Antimicrobial activity of the synthesized heteroleptic complexes were evaluated against two Gram (–ve) ( Escherichia coli and Klebsiella pneumoniae ) and two Gram (+ve) ( Bacillus cereus and Staphylococcus aureus ) bacterial, and three fungal ( Candida albicans, Candida glabrata and Candida krusei ) strains with respect to the standard drugs erythromycin and amphotericin-B. The copper(II) complex6 showed better scavenging activity against DPPH when compared to other complexes. The cytotoxic activity of copper(II) complexes5 and6 against MCF-7 cell line was assessed by MTT assay, which showed exponential responses toward increasing concentration of complexes. In the molecular docking studies, the complexes showed π–π, σ–π, hydrogen bonding, van der Waals and electrostatic interactions with FGFR kinase receptor. Graphical abstract: Image 1 Highlights: Eight heteroleptic metal(II) complexes were synthesized and characterized. DFT studies were performed to calculate the HOMO-LUMO energy level. The complexes show moderate antimicrobial and antioxidant activity. The complexes strongly interact with FGFR kinase receptor. The cytotoxicity of copper(II)complexes was assayed by MTT method.