MnFe2O4@Tris as a magnetically recoverable catalyst for the one-pot synthesis of 2,3-dihydroquinazolin-4(1H)-ones

In the current work, a novel and economical MnFe 2 O 4 @Tris magnetic nanoparticles (MNPs) were synthesized and employed for the first time to synthesize 2,3-dihydroquinazolin-4(1 H )-one derivatives in a one-pot process under mild and green conditions. This catalytic system showed good activity in aqueous media at room temperature (r.t.) to give the desired products in high yields within short reaction times. The MnFe 2 O 4 @Tris MNPs could be conveniently separated from the reaction media under an external magnet and reused for at least five runs without an appreciable decrease in their catalytic activity. The MnFe 2 O 4 @Tris MNPs were characterized comprehensively by different analytical techniques that confirmed their successful fabrication and surface functionalization, spinel structure, spherical form, high magnetic saturation, and thermal stability. The established protocol showed a broad substrate scope and functional group tolerance for different aldehydes. In addition, the synthesized dihydroquinazolinone derivatives were subjected to molecular docking studies to explore their binding modes with xanthine oxidoreductase. Based on the docking results, we found that the synthesized compounds exhibited good binding affinities with stable binding modes mainly due to hydrogen bonding and hydrophobic interactions in the active pocket of the enzyme, suggesting potential pharmacological importance for these derivatives. Simple catalyst design, good catalytic activity, and recyclability, as well as the use of water as a green solvent, illustrate the sustainability and practical utility of this catalytic system. This investigation offers an encouraging basis for the use of environmentally friendly MnFe 2 O 4 @Tris MNPs in the synthesis of biologically significant heterocyclic compounds.