International Journal of Molecular Sciences

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Dr. Da-Tian Bau

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Guest Editor

1. Chairman of Terry Fox Cancer Research Lab, Translational Medicine Research Center, China Medical University Hospital, Taichung, Taiwan
2. Graduate Institute of Biomedical Sciences, China Medical University & Hospital, Taichung, Taiwan
Interests: cancer genomics; translational medical sciences; personalized genomic and pharmaceutical sciences; DNA damage and repair; cell physiology; cell toxicology

Special Issue Information

Dear Colleagues,

Genetic material is continuously exposed to genotoxic insults and is crucially reliant on DNA repair mechanisms. Genome maintenance processes vary between somatic and germ cells, with somatic cells requiring maintenance only during an individual’s lifespan, while the germline perpetuates its genetic information indefinitely. Mechanistically diverse repair machineries recognize and address DNA lesions. The DNA damage response impacts a wide range of homeostatic processes and can ultimately lead to cell fate changes, such as apoptosis or cellular senescence. DNA damage is causally linked to the aging process and aging-associated diseases, notably cancer. In this Special Issue, we invite manuscripts that explore DNA damage and repair mechanisms, genomic instability, pharmaceutical drug development, therapeutic resistance and carcinogenesis related to one or more DNA damage/repair proteins. We sincerely hope that this collection can contribute to the field of oncology. To this end, partial clinical research and survey studies are not suitable.

Dr. Da-Tian Bau
Guest Editor

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Keywords

DNA repair
DNA damage
human pathologies
solid cancers
degenerative diseases
anticancer therapy

Published Papers (1 paper)

Research

14 pages, 751 KiB

Open AccessArticle

The Influence of Oxidized Imino-Allantoin in the Presence of ^OXOG on Double Helix Charge Transfer: A Theoretical Approach

by Boleslaw T. Karwowski

Int. J. Mol. Sci. 2024, 25(11), 5962; https://doi.org/10.3390/ijms25115962 - 29 May 2024

Viewed by 126

Abstract

The genome is continuously exposed to a variety of harmful factors that result in a significant amount of DNA damage. This article examines the influence of a multi-damage site containing oxidized imino-allantoin (^OXIa) and 7,8-dihydro-8-oxo-2′-deoxyguanosine (^OXOdG) on the spatial geometry, electronic properties, and ds-DNA charge transfer. The ground stage of a d[A₁^OXIa₂A₃^OXOG₄A₅]*d[T₅C₄T₃C₂T₁] structure was obtained at the M06-2X/6-D95**//M06-2X/sto-3G level of theory in the condensed phase, with the energies obtained at the M06-2X/6-31++G** level. The non-equilibrated and equilibrated solvent-solute interactions were also considered. Theoretical studies reveal that the radical cation prefers to settle on the ^OXOG moiety, irrespective of the presence of ^OXIa in a ds-oligo. The lowest vertical and adiabatic ionization potential values were found for the ^OXOG:::C base pair (5.94 and 5.52 [eV], respectively). Conversely, the highest vertical and adiabatic electron affinity was assigned for ^OXIaC as follows: 3.15 and 3.49 [eV]. The charge transfers were analyzed according to Marcus’ theory. The highest value of charge transfer rate constant for hole and excess electron migration was found for the process towards the ^OXOGC moiety. Surprisingly, the values obtained for the driving force and activation energy of electro-transfer towards ^OXIa₂C₄located this process in the Marcus inverted region, which is thermodynamically unfavorable. Therefore, the presence of ^OXIa can slow down the recognition and removal processes of other DNA lesions. However, with regard to anticancer therapy (radio/chemo), the presence of ^OXIa in the structure of clustered DNA damage can result in improved cancer treatment outcomes. Full article

(This article belongs to the Special Issue Molecular Advances in DNA Repair and Damage Research)

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