Anticancer evaluation of the selected tetrahydropyrimidines: 3D-QSAR, cytotoxic activities, mechanism of action, DNA, and BSA interactions

Emilija Milovic,Jelena Petronijevic,Nenad Joksimovic,Milan Beljkas,Dusan Ruzic,Katarina Nikolic,Milan Vranes,Aleksandar Tot,Marija Dordic Crnogorac,Tatjana Stanojkovic,Nenad Jankovic

Journal of Molecular Structure（2022）

引用 8|浏览5

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摘要

•Cytotoxic properties of tetrahydropyrimidines were evaluated.•B7 and B8 showed the best cytotoxicity and good binding properties to DNA and BSA.•Molecular docking study suggest that interactions between B7 and BSA are stronger.•Based on 3D-QSAR, hydrogen accepting groups at phenyl ring improved cytotoxicity.

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