Multi-functionalized biologically active isatin-tagged dihydropyrimidine derivatives: green synthesis by the use of recyclable Fe-dopped Ce-oxide nanoparticles, computational studies and <i>ex vivo</i> cytotoxic activity against breast cancer cells

A new class of compounds was designed and synthesised using a molecular hybridisation technique based on the dihydropyridine, isatin, triazole, thiazole, benzothiazole, and glucose scaffolds. The alkyne derivatives of dihydropyridine were synthesised by using reusable Fe-doped Ce-oxide nanoparticles <i>via</i> a three-component Biginelli reaction. The substances were then tested for their cytotoxic effects on two human breast tumour cell lines, MCF-7 and MDA-MB-231, as well as non-cancerous breast epithelial cell lines (<i>i.e.</i>, HEK293). The primary objective was to synthesise the more efficient breast cancer cell inhibitory molecules, which contain multiple scaffolds, and to investigate their potential as anti-breast cancer cell inhibitory therapeutic agents. Notably, compound-6, 7 and 14a exhibited remarkable anti-cancer activity against two prominent breast-cancer cell-lines, MCF-7 and MDA-MB-231. The IC₅₀ values of the compounds 6, 7, and 14a against MCF-7 and MDA-MB-231breast cancer cell lines were found to be the lowest. The successful synthesis of these dihyropyrimidines using an environmentally friendly approach emphasises the significance of sustainable and eco-friendly methodologies in pharmaceutical research.