Synthesis, Structural Characterization, and Biological Activity of New Pyrazolo[4,3-e][1,2,4]triazine Acyclonucleosides
| Autor: | Joanna Matysiak, Andrzej Fruziński, Zofia Bernat, Mariusz Mojzych, Zbigniew Karczmarzyk |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2020 |
| Předmět: |
Stereochemistry
In silico Synthetic membrane Pharmaceutical Science pyrazolo[4 3-e][1 2 4]triazine 02 engineering and technology Analytical Chemistry lcsh:QD241-441 03 medical and health sciences chemistry.chemical_compound 0302 clinical medicine theoretical calculation lcsh:Organic chemistry Drug Discovery Physical and Theoretical Chemistry X ray analysis Triazine Kinase Organic Chemistry acyclonucleosides Biological activity molecular docking 021001 nanoscience & nanotechnology anticancer activity chemistry Chemistry (miscellaneous) 030220 oncology & carcinogenesis Lipophilicity Molecular Medicine 0210 nano-technology Human cancer X-ray analysis |
| Zdroj: | Molecules Volume 25 Issue 1 Molecules, Vol 25, Iss 1, p 221 (2020) |
| ISSN: | 1420-3049 |
| DOI: | 10.3390/molecules25010221 |
| Popis: | A series of new pyrazolo[4,3-e][1,2,4]triazine acyclonucleosides 2&ndash 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 immobilized artificial membrane (IAM) chromatography. In order to confirm the molecular structures and synthesis pathway of new acyclonucleosides, X-ray analysis was performed for model compound 3. Theoretical calculations at the DFT/B3LYP/6-311++G(d,p) level were used for the characterization of electronic structures of 1&ndash 8. The potential antiviral activity of acyclonucleosides 2&ndash 8 was tested in silico using molecular docking method. |
| Databáze: | OpenAIRE |
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