期刊
CHEMISTRYSELECT
卷 8, 期 39, 页码 -出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/slct.202302461
关键词
Four component; Fused pyrimidines; antiproliferative study; Molecular docking; Broad substrate scope
A novel one-pot synthesis method for potential anticancer triazolopyrimidines was reported. The synthesized compounds showed concentration dependent inhibition against breast cancer cells, and one compound exhibited good binding interaction with amino acid residues in molecular docking simulation.
Triazolopyrimidines are emerging as potential anticancer agents. Herein, we report a novel one-pot four component synthesis of 2-((2-oxo-2-phenylethyl/benzyl)thio)-10-phenyl-4,10-dihydro-9H-indeno[1,2-d][1,2,4]-Triazolo[1,5-alpha]pyrimidin-9-ones by the reaction of 1,3-indanedione, aromatic aldehyde, 5-amino-4H-1,2,4-Triazol-3-thiol and phenacyl bromide in acetic acid with piperidine as catalyst at 90 degrees C for 13 hours. All the final compounds were identified on the basis of their FT-IR, H-1 NMR, (CNMR)-C-13 and HRMS. The synthesized compounds were evaluated for their cell growth inhibition potential using MTT and wound healing assay, (13)compounds induced concentration dependent inhibition with IC50 below 10 mu M against breast cancer cell lines (MCF-7). Further, the molecular docking simulation were carried out for all the derivatives, amongst these thio phenacyl, 2,4-dichlorophenyl 9H-indeno [1,2,4]-Triazolo[1,5-alpha]pyrimidin-9-one (5 g) shows good binding interaction with amino acid residues. This is further confirmed by wound healing assay which shows that 5 g inhibits cell migration at increasing concentrations.
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