Docking study of cistanoside C to telomeric DNA fragment
| Autor: | Zhong-Jian Jia, K. Gao, O. Delalande, Jean-Pierre Doucet, Botao Fan, N. El Fassi, K. Zakrzewska, Rongliang Zheng, Annick Panaye |
|---|---|
| Rok vydání: | 2003 |
| Předmět: |
DNA Repair
Free Radicals Guanine Stereochemistry Radical Catechols Bioengineering Ligands chemistry.chemical_compound Electron transfer DNA Adducts Structure-Activity Relationship Phenols Drug Discovery Molecule Humans Glycosides Pedicularis chemistry.chemical_classification Chemistry Plant Extracts Glycoside General Medicine DNA Telomere Biochemistry Telomeric dna Docking (molecular) Molecular Medicine DNA Damage |
| Zdroj: | SAR and QSAR in environmental research. 13(7-8) |
| ISSN: | 1062-936X |
| Popis: | Experiments show that the natural products phenyl propanoid glycosides (PPGs) extracted from the plant Pedicularis spicata are capable of repairing DNA damaged by oxygen radicals. Based on kinetic measurements and experiments on tumor cells, a theoretical study of the interaction between PPG molecule Cistanoside C and telomeric DNA fragment has been carried out. The docking calculations performed using JUMNA software showed that the Cistanoside C could be docked into the minor groove of telomeric DNA and form complexes with the geometry suitable for an electron transfer between guanine radical and the ligand. Such complexes can be formed without major distortions of DNA structure and are further stabilized by the interaction with the saccharide side-groups. |
| Databáze: | OpenAIRE |
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