A Schiff base of 2-((E)-(2-amino-5-methylphenylimino)methyl)- 5-(difluoromethoxy)phenol and its applications on fluorescent chemosensor for selection of Mg2+ ion, molecular docking, and anticancer activity
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Date
2020-08
Journal Title
Journal ISSN
Volume Title
Publisher
Open Science Publishers LLP
Abstract
A novel Schiff base of 2-((E)-(2-amino-5-methylphenylimino)methyl)-5-(difluoromethoxy)phenol (R) wassynthesized and characterized by FTIR, 1H&13C-NMR, and mass spectrometry. The receptor turned yellow and thengreen in the presence of Mg2+ molecules, with the intervention of different metal ions. The selectivity and sensitivityof Mg2+ ion caused the maximum fluorescence emission intensity at 524 nm, with an excitation wavelength at 378nm. Further experiments confirmed that receptor R binds with Mg2+. Job’s plot conforms to a 1:1 stoichiometrycomplex formation. The strong fluorescence is owing to the photoinduced electron/energy transfer effect. The receptorwas recovered by an ethylenediaminetetraacetic acid titration and the emission intensity also returned to a valueequivalent to the unbound ligand. protein data bank: 4J96 was used for the molecular docking of receptor R. Thecytotoxicity effect treatment was carried out by increasing the concentration of HeLa cells to predict IC50 value. Thehighest occupied molecular orbital/lowest unoccupied molecular orbita energy gap calculated and compared betweenR results as 3.48 eV and R-Mg2+ alpha and the beta value calculated a low energy value at 2.27 eV.
Description
Keywords
Schiff base, Mg2+ ion, colorimetric, Fluorometric, cytotoxicity, DFT.
Citation
Mathivanan Iyappan, Ezhumalai Dhineshkumar, Chinnadurai Anbuselvan. A Schiff base of 2-((E)-(2-amino-5-methylphenylimino)methyl)- 5-(difluoromethoxy)phenol and its applications on fluorescent chemosensor for selection of Mg2+ ion, molecular docking, and anticancer activity. Journal of Applied Pharmaceutical Science. 2020 Aug; 2020 Aug: 075-085