[ZeoDABCO-SO3H]Cl catalyzed synthesis, cytotoxicity against normal kidney cell line and molecular docking study of dihydropyrimidines-2-ones/thiones

•Synthesis of [ZeoDABCO-SO3H]-Cl Bronsted acidic heterogeneous catalyst.•The catalyst is utilized for the synthesis of 2,3-dihydropyrimidines-2-ones/ thiones in excellent yields.•The promising cytotoxicity activity against normal kidney cell lines.•An analysis of the human LTA4H protein's molec...

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Veröffentlicht in:Journal of molecular structure 2024-04, Vol.1301, p.137351, Article 137351
Hauptverfasser: Deshmukh, Neelam, Deshmukh, Jayavant, Deshmukh, Nikhil, Sankpal, Sandeep, Hangirgekar, Shankar
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Sprache:eng
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Zusammenfassung:•Synthesis of [ZeoDABCO-SO3H]-Cl Bronsted acidic heterogeneous catalyst.•The catalyst is utilized for the synthesis of 2,3-dihydropyrimidines-2-ones/ thiones in excellent yields.•The promising cytotoxicity activity against normal kidney cell lines.•An analysis of the human LTA4H protein's molecular docking against leukotriene A4 hydrolase.•Molecular Docking Results of (4a-j) series compounds with epidermal growth factor receptor tyrosine kinase In the present study, synthesis of material supported [ZeoDABCO-SO3H]Cl Bronsted acid heterogeneous catalyst was synthesized and investigated in the reaction between aryl aldehydes, ethyl acetoacetate, and urea/thiourea for the synthesis of Dihydro pyrimidines-2-ones/ thiones in excellent yields. The synthesized [ZeoDABCO-SO3H]Cl is reusable for six runs without suffering a significant loss of catalytic activity, according to reusability research. The existing technology has a variety of advantages, involving ambient reaction conditions, use of ethanol as green solvent, high yield, less time, and simple workup processes. Additionally, we have investigated the promising cytotoxicity against normal kidney cell lines, with the latter validated by a study of molecular docking. [Display omitted]
ISSN:0022-2860
1872-8014
DOI:10.1016/j.molstruc.2023.137351