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Nadia Ragab Mohamed
Photochemistry Department, Chemical Research Division, National Research Center, Dokki, Giza, 12622, Egypt
Chemical Engineering, Chemistry & Bioengineering Chemistry

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Synthesis, Characterization and Docking Study of Novel Pyrimidine Derivatives as Anticancer Agents Manal Mohamed Talaat El-Saidi; Ahmed Ali El-Sayed; Erik Bjerregaard Pedersen; Mohamed Abdelhamid Tantawy; Nadia Ragab Mohamed; Wafaa Ahmed Gad
Indonesian Journal of Chemistry Vol 20, No 5 (2020)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (761.535 KB) | DOI: 10.22146/ijc.50582

Abstract

New compounds 5 and 9 using DNA bases e.g. Adenine 1 and Guanine 6 derivatives have been synthesized. The use of simple methods to synthesize compounds 5 and 9 were done using pyrimidine as an alternative DNA base ring. Another design to synthesize new simple pyrimidine rings utilizing thiourea and ethylcyano acetate to afford 6-amino-2-thiouracil was adopted. The reaction of thiouracil 10 with chloro cyano or chloro ester and ketone, resulted in the formation of adduct compounds 18-21, rather than the formation of compound 17. All the synthesized compounds were subjected to docking study, in order to gain insights into their binding modes against cyclin-dependent protein kinase 2 (CDK-2) that is involved heavily in cell cycle regulation and receptor protein B-cell lymphoma 2 (BCL-2) which is involved in cell apoptosis. These targets were selected based on their key roles in cancer progression via the regulation of the cell cycle and DNA replication. Molecular-docking analyses showed that compound 14e was the best docked ligand against both targets, as it displayed the lowest binding energy, critical hydrogen bonds and hydrophobic interactions with the targets.
Co-Authors Ahmed Ali El-Sayed Erik Bjerregaard Pedersen Manal Mohamed Talaat El-Saidi Mohamed Abdelhamid Tantawy Wafaa Ahmed Gad