G. Prabakaran, S. Manivarman, M. Bharanidharan
Jan 19, 2021
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Influential Citations
5
Citations
Quality indicators
Journal
Materials Today: Proceedings
Abstract
Abstract A series of (E)-3-(3-(5-chlorothiophen-2-yl)-1-(furan-2-carbonyl)-2,3-dihydro-1H-pyrazol-4-yl)-1-(substituted)prop-2-en-1-one derivatives (5a-c)) was synthesised from the reaction of 3-(5-chlorothiophen-2-yl)-1-(furan-2-carbonyl)-2,3-dihydro-1H-pyrazole-4-carbaldehyde (2) with various substituted acetophenes by the use of TiO2-ZnS in ethanol under reflux conditions. All are structurally supported by IR spectrum and the basic testing and screening, and find that compounds 5a are potential antioxidants for their in vitro-antioxidant activity against DPPH. The results in vitro were compared with the results of the molecular docking, ADMET, QSAR and bioactivity study and it was found that the results were observed in good correlations with in vitro anti-oxidant results in silicon binding affinities. The analysis of molecular dockings revealed the interactions between the synthesised ligands and protein tyrosine kinase (2HCK) amino acid residues and has a strong hydrogen connexion to this enzyme.