Publication: Cycloketone And Coumarin-Based Chalcone And Pyrazoline Derivatives: Synthesis, In Silico Studies, Antioxidant And Cytotoxic Activities Against Mcf-7 Cell Line
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Date
2025-06
Authors
Sadiq, Abubakar
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Abstract
This study focuses on the synthesis, characterisation, in silico study and biological evaluation of cycloketone and coumarin-based chalcone and pyrazoline compounds, as potential antioxidant and anticancer agents. All these compounds were successfully synthesised through claisen-schmidt condensation and subsequent cyclo-condensation reaction. The structure of the compounds was confirmed using various spectroscopic techniques, including ftir and nmr. The molecular docking study was performed to predict the binding affinity of the synthesised compounds towards the target estrogen receptor alpha erα (3ert) protein involved in breast cancer pathways. The potential interactions suggest the effective binding of these compounds to the key amino acids associated with erα. The antioxidant activity of the compounds was evaluated using the dpph (2,2-diphenyl-1-picrylhydrazyl) radical scavenging assay, which serves as a preliminary screening method to identify potential free radical inhibitors. Compounds 2c (ic50 = 20.49 μm) and 3c (ic50 = 24.49 μm) showed a slightly better activity than trolox (ic50 = 30.83 μm), suggesting their potential as effective radical scavengers. Pyrazoline compounds in series 1 such as 1civ and 1div showed good antioxidant activity of ic50 29.70 and 20.74 μm, respectively, while pyrazoline compounds in series 2 namely 2di, 2dii and 2div showed the ic50 of 26.93, 27.49 and 24.68 μm, respectively.
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Cycloketone Coumarin-Based Chalcone Pyrazoline Derivatives: Synthesis