ReviewFrontiers in chemistry2015
Understanding DNA under oxidative stress and sensitization: the role of molecular modeling.
Review in Frontiers in chemistry, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 24 papers.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
24 citing papers in PubMed, 65 citations in OpenAlex.
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- Theoretical analysis of photosensitization of DNA by thionine.Journal of molecular modeling · 2024Article
- Metal-Based Drug-DNA Interactions and Analytical Determination Methods.Molecules (Basel, Switzerland) · 2024Review
- Bound Electron Enhanced Radiosensitisation of Nimorazole upon Charge Transfer.Molecules (Basel, Switzerland) · 2022Article
- Identification and validation of prognosis-associated DNA repair gene signatures in colorectal cancer.Scientific reports · 2022Article
- Cytotoxic mechanisms of doxorubicin at clinically relevant concentrations in breast cancer cells.Cancer chemotherapy and pharmacology · 2022Review
- Review
- Light Irradiation Coupled with Exogenous Metal Ions to Enhance Exopolysaccharide Synthesis fromJournal of fungi (Basel, Switzerland) · 2021Article
- Understanding the Radiobiology of Vestibular Schwannomas to Overcome Radiation Resistance.Cancers · 2021Review
- Stacking Effects on Anthraquinone/DNA Charge-Transfer Electronically Excited States.Molecules (Basel, Switzerland) · 2020Article
- Discovery of the Involvement in DNA Oxidative Damage of Human Sperm Nuclear Basic Proteins of Healthy Young Men Living in Polluted Areas.International journal of molecular sciences · 2020Article
- Electron Transfer Induced Decomposition in Potassium-Nitroimidazoles Collisions: An Experimental and Theoretical Work.International journal of molecular sciences · 2019Article
- Targeting G-quadruplexes with Organic Dyes: Chelerythrine-DNA Binding Elucidated by Combining Molecular Modeling and Optical Spectroscopy.Antioxidants (Basel, Switzerland) · 2019Article
- Populations and Dynamics of Guanine Radicals in DNA strands-Direct versus Indirect Generation.Molecules (Basel, Switzerland) · 2019Article
- Genotoxic effects of PMEnvironmental geochemistry and health · 2019Article
- The AT Interstrand Cross-Link: Structure, Electronic Properties, and Influence on Charge Transfer in dsDNA.Molecular therapy. Nucleic acids · 2018Article
- Accurate Estimation of the Standard Binding Free Energy of Netropsin with DNA.Molecules (Basel, Switzerland) · 2018Article
- Ectoine can enhance structural changes in DNA in vitro.Scientific reports · 2017Article
- Formation and repair of oxidatively generated damage in cellular DNA.Free radical biology & medicine · 2017Review
- Conformational polymorphism or structural invariance in DNA photoinduced lesions: implications for repair rates.Nucleic acids research · 2017Article
Corrections and comments
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Authors and funding
2 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
DNA is constantly exposed to damaging threats coming from oxidative stress, i.e., from the presence of free radicals and reactive oxygen species. Sensitization from exogenous and endogenous compounds that strongly enhance the frequency of light-induced lesions also plays an important role. The experimental determination of DNA lesions, though a difficult subject, is somehow well established and allows to elucidate even extremely rare DNA lesions. In parallel, molecular modeling has become fundamental to clearly understand the fine mechanisms related to DNA defects induction. Indeed, it offers an unprecedented possibility to get access to an atomistic or even electronic resolution. Ab initio molecular dynamics may also describe the time-evolution of the molecular system and its reactivity. Yet the modeling of DNA (photo-)reactions does necessitate elaborate multi-scale methodologies to tackle a damage induction reactivity that takes place in a complex environment. The double-stranded DNA environment is first characterized by a very high flexibility, but also a strongly inhomogeneous electrostatic embedding. Additionally, one aims at capturing more subtle effects, such as the sequence selectivity which is of critical important for DNA damage. The structure and dynamics of the DNA/sensitizers complexes, as well as the photo-induced electron- and energy-transfer phenomena taking place upon sensitization, should be carefully modeled. Finally the factors inducing different repair ratios for different lesions should also be rationalized. In this review we will critically analyze the different computational strategies used to model DNA lesions. A clear picture of the complex interplay between reactivity and structural factors will be sketched. The use of proper multi-scale modeling leads to the in-depth comprehension of DNA lesions mechanisms and also to the rational design of new chemo-therapeutic agents.
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