Docking study of cistanoside C to telomeric DNA fragment.
SAR QSAR Environ Res
; 13(7-8): 675-88, 2002 Dec.
Article
in En
| MEDLINE
| ID: mdl-12570045
ABSTRACT
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.
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Collection:
01-internacional
Database:
MEDLINE
Main subject:
DNA Damage
/
Catechols
/
Telomere
/
Pedicularis
/
DNA Repair
/
Glycosides
Limits:
Humans
Language:
En
Journal:
SAR QSAR Environ Res
Year:
2002
Document type:
Article