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Effect of C5-methylation of cytosine on the photoreactivity of DNA: A joint experimental and computational study of TCG trinucleotides (104 visite)

Esposito L, Banyasz A, Douki T, Perron M, Markovitsi D, Improta R

J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2014 Sep 6; 136(31): 10838-10841.

Tipo di articolo: Journal Article, Research Support, Non-U. S. Gov'T, , Impact factor: 12.113, Impact factor a 5 anni: 11.726, Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-84905674437&partnerID=40&md5=9d1060cdd3002d4df021987f61ddf5ae

Parole chiave: Alkylation, Dimers, Electric Excitation, Mass Spectrometry, Molecular Dynamics, Computational Studies, Conformational Equilibrium, Electronic Excited State, Experimental Techniques, Natural Process, Optical Spectroscopy, Theoretical Methods, Uv-Induced Dna Damage, Dna Sequences,

Affiliazioni: *** IBB - CNR ***
Istituto di Biostrutture e Bioimmagini-CNR, Via Mezzocannone 16, I-80134 Napoli, Italy
CNRS, IRAMIS, Laboratoire Francis Perrin, F-91191 Gif-sur-Yvette, France
INAC-LCIB, INAC-SCIB, LAN Université Grenoble Alpes, F-38000 Grenoble, France


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Serrano-Perez, J. J., Gonzalez-Ramirez, I., Coto, P. B., Merchan, M., Serrano-Andres, L., (2008) J. Phys. Chem. B, 112, p. 14096

Temiz, N. A., Donohue, D. E., Bacolla, A., Luke, B. T., Collins, J. R., (2012) PLoS One, 7, p. 35558



DNA methylation, occurring at the 5 position of cytosine, is a natural process associated with mutational hotspots in skin tumors. By combining experimental techniques (optical spectroscopy, HPLC coupled to mass spectrometry) with theoretical methods (molecular dynamics, DFT/TD-DFT calculations in solution), we study trinucleotides with key sequences (TCG/T5mCG) in the UV-induced DNA damage. We show how the extra methyl, affecting the conformational equilibria and, hence, the electronic excited states, increases the quantum yield for the formation of cyclobutane dimers while reducing that of (6-4) adducts. © 2014 American Chemical Society.
Nessun risultato.

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* A Molecular Dynamics Study of Pilus Subunits: Insights into Pilus Biogenesis (144 visite)
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2007 Apr 6; 367(4): 935-941.
Impact Factor: 4.472
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Pappalardo M, Milardi D, Grasso D, La Rosa C
* Steered molecular dynamics studies reveal different unfolding pathways of prions from mammalian and non-mammalian species (116 visite)
New Journal Of Chemistry (ISSN: 1144-0546), 2007; 31(6): 901-905.
Impact Factor: 2.651
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D'Agata R, Grasso G, Parlato S, Simone S, Spoto G
* The use of atmospheric pressure laser desorption mass spectrometry for the study of iron-gall ink (106 visite)
Appl Phys A (ISSN: 0947-8396), 2007; 89(1): 91-95.
Impact Factor: 1.857
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Esposito L, Pedone C, Vitagliano L
* Molecular dynamics analyses of cross-beta-spine steric zipper models: beta-sheet twisting and aggregation (168 visite)
Proc Natl Acad Sci U S A (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2006 Sep 1; 103(31): 11533-11538.
Impact Factor: 9.643
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Langella E, Improta R, Crescenzi O, Barone V
* Assessing the acid-base and conformational properties of histidine residues in human prion protein (125-228) by means of pKα calculations and molecular dynamics simulations (164 visite)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jul 1; 64(1): 167-177.
Impact Factor: 3.73
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Merlino A, Esposito L, Vitagliano L
* Polyglutamine Repeats And Beta-Helix Structure: Molecular Dynamics Study (134 visite)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jun 1; 63(4): 918-927.
Impact Factor: 3.73
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De Capua A, Goodman M, Amino Y, Saviano M, Benedetti E
* Conformation analysis of aspartame-based sweeteners by NMR spectroscopy, molecular dynamics simulations, and X-ray diffraction studies (185 visite)
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic), 2006 Feb; 7(2): 377-387.
Impact Factor: 4.1
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Merlino A, Mazzarella L, Carannante A, Di Fiore A, Di Donato A, Notomista E, Sica F
* The importance of dynamic effects on the enzyme activity: X-ray structure and molecular dynamics of onconase mutants (124 visite)
J Biol Chem Journal Of Biological Chemistry (ISSN: 0021-9258, 1083-351x), 2005 May 6; 280(18): 17953-17960.
Impact Factor: 5.854
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Esposito L, Daggett V
* Insight into ribonuclease A domain swapping by molecular dynamics unfolding simulations (108 visite)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2005 Mar 8; 44(9): 3358-3368.
Impact Factor: 3.848
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Merlino A, Ceruso MA, Vitagliano L, Mazzarella L
* Open interface and large quaternary structure movements in 3D domain swapped proteins: Insights from molecular dynamics simulations of the C-terminal swapped dimer of ribonuclease (141 visite)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2005 Mar; 88(3): 2003-2012.
Impact Factor: 4.507
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Langella E, Improta R, Barone V
* Checking the pH-induced conformational transition of prion protein by molecular dynamics simulations: Effect of protonation of histidine residues (129 visite)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2004 Dec; 87(6): 3623-3632.
Impact Factor: 4.585
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Pappalardo M, Milardi D, La Rosa C, Zannoni C, Rizzarelli E, Grasso D
* A molecular dynamics study on the conformational stability of PrP 180-193 helix II prion fragment (113 visite)
Chemical Physics Letters (ISSN: 0009-2614), 2004 Jun 1; 390(4-6): 511-516.
Impact Factor: 2.438
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Pappalardo M, Milardi D, Grasso DM, La Rosa C
* Free energy perturbation and molecular dynamics calculations of copper binding to azurin (118 visite)
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2003 Apr 30; 24(6): 779-785.
Impact Factor: 3.186
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Merlino A, Vitagliano L, Ceruso M, Di Nola A, Mazzarella L
* Global and local motions in ribonuclease A: A molecular dynamics study (114 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2002 Nov 15; 65(4): 274-283.
Impact Factor: 2.372
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Monti SM, Gallo M, Ferracane R, Borrelli RC, Ritieni A, Greco ML, Graniti A, Fogliano V
* Analysis of bacterial lipodepsipeptides by matrix-assisted laser desorption/ionisation time-of-flight and high-performance liquid chromatography with electrospray mass spectrometry (126 visite)
Rapid Commun Mass Spectrom (ISSN: 0951-4198, 1097-0231electronic), 2001; 15(8): 623-628.
Impact Factor: 2.478
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Saviano M, Rossi F, Pavone V, Di Blasio B, Pedone C
Molecular dynamics simulation in vacuo and in solution of [Aib5, 6-D- Ala8] Cyclolinopeptide A: A conformational and comparative study (117 visite)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 1992 Jun; 9(6): 1045-1060.
Impact Factor: 1.283
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61 Records (61 escludendo Abstract e Conferenze).
Impact factor totale: 226.611 (226.611 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 221.291 (221.291 escludendo Abstract e Conferenze).







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