title: Docking study of cistanoside C to telomeric DNA fragment.
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.
authors.affiliation: ITODYS, CNRS UMR7086, Université Paris 7, 1, rue Guy de la Brosse, 75005 Paris, France.
authors.forename: O
authors.initials: O
authors.lastname: Delalande
authors.forename: K
authors.initials: K
authors.lastname: Gao
authors.forename: B T
authors.initials: BT
authors.lastname: Fan
authors.forename: K
authors.initials: K
authors.lastname: Zakrzewska
authors.forename: N
authors.initials: N
authors.lastname: El Fassia
authors.forename: Z J
authors.initials: ZJ
authors.lastname: Jia
authors.forename: R L
authors.initials: RL
authors.lastname: Zheng
authors.forename: A
authors.initials: A
authors.lastname: Panaye
authors.forename: J P
authors.initials: JP
authors.lastname: Doucet
mesh_terms: D002396:Catechols / Q000494:pharmacology*; D004247:DNA / Q000737:chemistry; D018736:DNA Adducts; D004249:DNA Damage; D004260:DNA Repair; D005609:Free Radicals / Q000009:adverse effects; D006027:Glycosides / Q000494:pharmacology*; D006801:Humans; D008024:Ligands; D032262:Pedicularis / Q000737:chemistry*; D010636:Phenols / Q000494:pharmacology; D010936:Plant Extracts / Q000494:pharmacology; D013329:Structure-Activity Relationship; D016615:Telomere / Q000235:genetics*
chemical_list: D002396:Catechols; D018736:DNA Adducts; D005609:Free Radicals; D006027:Glycosides; D008024:Ligands; D010636:Phenols; D010936:Plant Extracts; C471338:cistanoside C; D004247:DNA