A sustainable bio-based catalytic system for the synthesis of [1,2,4]-triazoloquinazolinones as promising anticancer agents

Abstract

A sustainable, novel, and cost-effective method has been developed for synthesizing [1,2,4]-triazoloquinazolinones, which exhibit promising anticancer properties. This multicomponent reaction, involving dimedone, 3-amino-1,2,4-triazole, and various benzaldehyde derivatives, is catalyzed by an aqueous bamboo shoot extract as a bio-based catalyst. The synthesis is highly efficient, proceeding under solvent-free conditions at ambient temperature to deliver excellent yields within 6 h, without the need for additional catalysts. The synthesized compounds were evaluated for their anticancer activity against Dalton's lymphoma cells. The tested compounds exhibited significant cytotoxic effects comparable to the standard drug cisplatin. Crucially, these compounds exhibited minimal toxicity towards normal peripheral blood mononuclear cells (PBMCs), suggesting a favourable safety profile. The in vitro findings were further supported by molecular docking and molecular dynamics simulations, which revealed strong binding affinities and stable interactions between the lead molecules and their target protein. This study establishes an efficient, sustainable, and environmentally benign synthetic strategy for producing biologically active [1,2,4]-triazoloquinazolinones, offering a potential route for future anticancer drug development.