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Synthesis of New Pyrimidine Derivatives, Study of Anti-Сancer Activity, Structural Properties, and Molecular Docking

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Abstract

New pyrimidine derivatives were synthesized through domino Knoevenagel–Michael cyclization reactions of aryl aldehydes, ethyl cyanoacetate, and guanidine hydrochloride or urea under a basic catalysis. Cytotoxic activity of the prepared compounds against MCF-7 and HepG2 tumor cell lines was investigated by the MTT test. Compound geometry analysis was performed using the B3LYP functional with a 6-311+G(d,p) basis set. The estimated geometries were very similar to the experimental ones.

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ACKNOWLEDGMENTS

The authors gratefully thank the University of Basrah, Iraq for performing 1H, 13C NMR spectra.

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Authors and Affiliations

  1. Department of Chemistry, College of Education for Pure Sciences, University of Basrah, 61004, Basrah, Iraq

    Z. Al Shuhaib, K. A. Hussein & S. M. Ismael

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  1. Z. Al Shuhaib
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  2. K. A. Hussein
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Correspondence to K. A. Hussein.

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Shuhaib, Z.A., Hussein, K.A. & Ismael, S.M. Synthesis of New Pyrimidine Derivatives, Study of Anti-Сancer Activity, Structural Properties, and Molecular Docking. Russ J Gen Chem 93, 1171–1180 (2023). https://doi.org/10.1134/S1070363223050183

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