Study of the interaction between UV light and nucleic acids: elucidating the molecular mechanisms responsible of the genetic stability and of the oxidative damaging processes by using computational methods

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Research areas: Structural and electronic properties of nucleic acids,

Keywords: Quantum Mechanical Calculations, Photophysics, Photochemistry, Dna Oxidative Damage

Contact person: Roberto Improta, robimp

unina.it

Actors: Luciana Esposito, luciana.esposito

cnr.it, Roberto Improta, robimp

unina.it,

Description:
Absorption of UV light by DNA is a very importantbiological process, since it can lead to the damage of the genetic code and is relatedto aging, apoptosis and carcinogenesis. Thisresearch line, based on our experience in the development and the applicationof quantum mechanical computational methods to study the reactivity ofbiomacromolecules, aims to understand the molecular mechanism responsible ofthe photostability of nucleic acids or, on the opposite, involved in theoxidative photodamage. Our activity is organized in different researchpackages:

1) Molecular processes responsible of DNAphotostability: photophsyics of isolated bases, including epigenetic bases.

2) Molecular processes responsible of DNAphotostability: collective photophysical processes in single and doublestrands.

3) Molecular process responsible of photodamage:photodimerization in NA

4) Molecular processresponsible of photodamage: One photon ionization in NA.

Figures:

Selected papers:

1) Quantum mechanical studies on the photophysics and the photochemistry ofnucleic acids and nucleobases R Improta, F Santoro, L Blancafort

Chemicalreviews (2016), 116, 3540-3593,

2) What makes thienoguanosine an outstanding fluorescent DNA probe?

J Kuchlyan, L Martinez-Fernandez, M Mori, K Gavvala, S Ciaco, C. Boudier, L.Richert, P. Didier, Y. Tor, R. Improta, Y. Mély

Journal of the American Chemical Society (2020), 142, 16999-17014

3) Comprehensive study of guanine excited state relaxation and photoreactivityin G-quadruplexes L Martinez-Fernandez, P Changenet, A Banyasz, T Gustavsson,D. Markovitsi, R. Improta The Journal of Physical Chemistry Letters (2019) 10,6873-6877

4) Absorption of low-energy uv radiation by human telomere G-quadruplexesgenerates long-lived guanine radical cations A Banyasz, L Martinez-Fernandez, CBalty, M Perron, T Douki, R Improta, D. Markovitsi

Journal of the American Chemical Society (2017), 139,10561-10568

Study of the interaction between UV light and nucleic acids: elucidating the molecular mechanisms responsible of the genetic stability and of the oxidative damaging processes by using computational methods Your query: ([atitle, adesc, keywords] "Quantum Mechanical Calculations" OR [atitle, adesc, keywords] "Photophysics" OR [atitle, adesc, keywords] "Photochemistry" OR [atitle, adesc, keywords] "Dna Oxidative Damage") AND NOT [id] = 164

Your query: ([atitle, adesc, keywords] "Quantum Mechanical Calculations" OR [atitle, adesc, keywords] "Photophysics" OR [atitle, adesc, keywords] "Photochemistry" OR [atitle, adesc, keywords] "Dna Oxidative Damage") AND NOT [id] = 164

▼ Molecular dynamics simulation approach to study UV-induced DNA damage

Esposito Luciana

Improta Roberto

Study of the interaction between UV light and nucleic acids: elucidating the molecular mechanisms responsible of the genetic stability and of the oxidative damaging processes by using computational methods Your query: [btitle, abstract, keywords] "Quantum Mechanical Calculations" OR [btitle, abstract, keywords] "Photophysics" OR [btitle, abstract, keywords] "Photochemistry" OR [btitle, abstract, keywords] "Dna Oxidative Damage"

Your query: [btitle, abstract, keywords] "Quantum Mechanical Calculations" OR [btitle, abstract, keywords] "Photophysics" OR [btitle, abstract, keywords] "Photochemistry" OR [btitle, abstract, keywords] "Dna Oxidative Damage"

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