About: Effects of ligands on DNA damage induced by free radicals.     Goto   Sponge   NotDistinct   Permalink

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  • DNA attack by radical species produced by water radiolysis is the most important part of biological action of ionizing radiation. The aim of the study is to follow yields and distributions of DNA damages in relation to the structural modifications induced by DNA binding ligands, mainly anticancer drugs, small peptides and proteins. The main tool will be the theoretical simulation of radical attack to DNA. The existing stochastic model of DNA damage caused by free radical attack will be further upgraded in order to include intra- and intermolecular electron and hole transfer. The predicted data will serve as a complement to experimental studies performed by partner laboratories. The planned study can provide new information about potential toxic effects of free radicals and their importance for structural and functional modifications of biomolecules in the frame of physiologic or pathologic processes within living cells. (en)
  • Získání nových poznatků o vlivu molekulární struktury makromolekuly DNK a její interakce s různými ligandy na distribuce a typy poškození vyvolaných účinkem volných radikálů.
Title
  • Effects of ligands on DNA damage induced by free radicals. (en)
  • Vliv ligandů na poškození DNK vzniklých účinkem volných radikálů
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  • OC09012
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  • deoxyribonucleic acid; theoretical modeling; Monte Carlo method; free radicals; molecular structure (en)
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  • Developed theoretical model RADAMOL allows simulating of direct and indirect effects of ionizing radiation. Model outcome are predictions of yields and distributions of simple and complex damages to target induced by charged particles of different quality. (en)
  • Vyvinutý teoretický model RADAMOL umožňuje simulaci přímého a nepřímého účinku ionizujícího záření na biomolekuly (DNA, proteiny) s danou atomární strukturou. Výstupem jsou predikce výtěžků a distribucí jednoduchých a komplexních poškození terčů ozářených nabitými částicemi různé kvality. (cs)
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  • deoxyribonucleic acid
  • free radicals
  • Monte Carlo method
  • theoretical modeling
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