Beilstein Arch. 2019, 2019102. https://doi.org/10.3762/bxiv.2019.102.v1
Published 09 Sep 2019
A series of new pyrazolo[4,3-e][1,2,4]triazine acyclonucleosides 2-5 and 8 were prepared and evaluated for their anticancer activity against human cancer cell lines (MCF-7, K-562) and CDK2/E as well as Abl protein kinases inhibitors. Lipophilicity of the compounds was determined using C-18 and IAM chromatography. In order to confirm molecular structures and synthesis pathway of new acyclonucleosides X-ray analysis was performed for model compound 3. Theoretical calculations at DFT/B3LYP/6-311++G(d,p) level were used for characterization electronic structures of 1–8. The potential antiviral activity of acyclonucleoside 2–8 was tested in silico using molecular docking method.
Keywords: Acyclonucleosides, Pyrazolo[4,3-e][1,2,4]triazine, Anticancer activity, X-ray analysis, Theoretical calculation, Molecular docking
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Mojzych, M.; Karczmarzyk, Z.; Matysiak, J.; Fruziński, A. Beilstein Arch. 2019, 2019102. doi:10.3762/bxiv.2019.102.v1
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