Publication: Synthesis, In Silico Studies And Cytotoxicity Activity Against Breast Cancer Cells Of New Coumarin-Based Compounds With Chalcone And Pyrazoline Scaffolds
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Date
2025-05
Authors
Rahama, Muhammad Sulaiman
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Abstract
Coumarin-based compounds have attracted significant attention for their potential as anticancer agents, particularly in the treatment of breast cancer. The aim of this study is to design new coumarin-based compounds with chalcone and pyrazoline scaffolds using the molecular docking method, followed by the synthesis and characterisation of the compounds using ftir and nmr spectroscopic techniques. The in silico methods of the swissadme were used to evaluate their pharmacokinetic and drug-likeness properties and the in vitro assay was carried out to determine their potential activities against mcf-7 breast cancer cell lines. A total of 26 coumarin-chalcone compounds were synthesised via the claisen-schmidt condensation, followed by their cyclo-condensation reaction to form 36 coumarin-pyrazoline derivatives. Some selected coumarin-chalcone and their corresponding coumarin-pyrazoline compounds were subjected to a preliminary screening using dpph (2,2-diphenyl-1-picrylhydrazyl) radical scavenging assay to evaluate their antioxidant properties to guide the selection of potential compounds for cytotoxicity evaluation against breast cancer cell lines, mcf-7. Molecular docking results with 3ert indicated that the compounds obeyed lipinski’s rule of 5 demonstrating favourable physicochemical, pharmacokinetic and drug-likeness properties
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Synthesis , Silico Studies Cytotoxicity Activity Against