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© Research
Publication : SAR and QSAR in environmental research

Theoretical study of fast repair of DNA damage by cistanoside C and analogs: mechanism and docking

Scientific Fields
Diseases
Organisms
Applications
Technique

Published in SAR and QSAR in environmental research - 01 Mar 2002

Sperandio O, Fan BT, Zakrzewska K, Jia ZJ, Zheng RL, Panaye A, Doucet JP, El Fassi N

Link to Pubmed [PMID] – 12071653

SAR QSAR Environ Res 2002 Mar;13(2):243-60

Experiments show that the natural substances phenylpropanoid glycosides (PPGs) extracted from pelicularis 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 molecules and isolated DNA bases, as well as a DNA fragment has been performed. An interaction mechanism reported early has been refined. The docking calculations performed using junction minimization of nucleic acids (JUMNA) software showed that the PPG molecules can be docked into the minor groove of 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 rhamnosyl side-groups.

http://www.ncbi.nlm.nih.gov/pubmed/12071653