(64) Modelling of Short DNA Single Strands
Date:
Contributors: Mauracher, A., & Huber, S. E.
Venue: Dynamics of Systems on the Nanoscale (DySoN 2018), Potsdam, Germany, October 8-12, 2018
Abstract: Radiation therapy is among the most commonly applied modalities against tumours next to chemotherapy and surgery [1]. To increase the effect of the radiation, certain therapeutic agents, i.e. radiosensitizers, are applied in combined chemoradiotherapy [2]. A review on damage of DNA labelled with electrophilic nucleobases induced by ionizing radiation summarizes the most important factors deciding about radiation damage as (i) electron affinity of the modified nucleoside, (ii) local surroundings of the label and (iii) strength of the chemical bonding between substituent and nucleobase [3]. Furthermore, radiosensitivity is also assumed to be related to hydration as well as secondary organic radicals in the cell environment [4].
For a detailed understanding of the fundamental processes governing radiosensitivity, results from both experimental studies and theoretical investigations need to be combined. From a computational point of view, the choice of an appropriate theoretical model is often a tedious task not least because of the general difficulty of finding a reasonable balance of accuracy and computational expenses. In particular, in the framework of radiation effects on DNA, this is further complicated by the intrinsic complexity of the biological systems of interest. This contribution aims at giving an overview of selected difficulties in this context but also of resultant opportunities for possible methodological improvements as well as a better understanding of radiation induced DNA damage in general.
REFERENCES
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