Synthesis, biomedical activities, and molecular docking study of novel chromone derivatives

The secondary plant metabolites known as coumarins have been proven to have significant pharmacological effects. In the current study, three acetylcoumarin was combined with an aromatic aldehyde to create coumarinyl chalcone, and their various biomedical properties, such as antioxidant, antibacterial, and anticancer activity, were evaluated. The Pachmann reaction was used to create 3-acetylcoumarins, which were then condensed with substituted aromatic aldehydes to produce coumarinyl chalcone, compound (B). Compound (B) then interacted with hydrazine hydrate to produce compound (C). The synthesized compounds were characterized by melting point, FTIR, and 1H -NMR spectral studies and evaluated for various pharmacological activities such as antioxidant, antibacterial, and anticancer activity. Compound (C) exhibited the highest antioxidant and antibacterial activity among the test compounds. Therefore, compound (C) was screened for anticancer activity. The results of the present investigation demonstrated that the tested substance (C) inhibits the growth and suppresses the proliferation of breast cancer cells. The target compounds (A, B, C, and standard) underwent a docking procedure CTX-M-15. The orthosteric target was shown to bind to every hit. The active location of the enzyme might signify a competitive inhibition mechanism.

Automated summary

Coumarins and their derivatives, such as coumarinyl chalcone, have significant pharmacological effects, including antioxidant, antibacterial, and anticancer activity. This study synthesized different compounds and evaluated their biomedical properties, finding that compound (C) exhibited the highest antioxidant and antibacterial activity and inhibited the growth of breast cancer cells.