Synthesis, Molecular Docking and Biological Evaluation of Some Novel Heterocyclic Derivatives | ||||
| Egyptian Journal of Chemistry | ||||
| Article 5, Volume 55, Issue 4, August 2012, Page 381-398 PDF (695.01 K) | ||||
| DOI: 10.21608/ejchem.2012.1164 | ||||
 View on SCiNiTO | ||||
| Abstract | ||||
| ASERIES of heterocyclic derivatives 2-15 including pyrimidinone ……and pyrimidine thione rings were synthesized by using chalcones 1a-c as starting materials. Treatment of compound 1a with hydrogen peroxide afforded the corresponding epoxide 2, which afford thioxopyrimidine derivative 3 upon the reaction with thiourea. The latter compound was treated with halo-derivatives to give the corresponding N-substituted thioxopyrimidine derivatives 4 and 5. Moreover, compounds 6-10 were prepared by the treatment of compound 1b with acetyl acetone, hydrazine hydrate, urea, thiourea or thiosemicarbazide, respectively. Also, compound 10 was condensed with p-chlorobenzaldehyde and chloroethanol to give 11 and 12, respectively. The alkylation of 9a with methyl iodide or ethylchloroacetate accessing the S-substituted pyrimidine derivatives 13 and 14, respectively was carried out. Also, compound 9a was reacted with p-methoxybenzaldehyde and bromoacetic acid to afford the corresponding thiazolopyrimidine 15. Characterization and structural elucidation of the products was realized based on chemical and spectral analyses. Furthermore, a molecular docking study was performed in order to predict the anticancer activity of these compounds against Tyrosine Kinase enzyme hoping to find any promising affinity that could be of potential anticancer activity. Also, the biological evaluation of some prepared compounds has been assessed and some of them revealed promising antioxidant activity. | ||||
| Keywords | ||||
| Pyrimidinethione; Acyclic nucleosides; Molecular docking and Antioxidant activity | ||||
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