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Tautomers of a Fluorescent G Surrogate and Their Distinct Photophysics Provide Additional Information Channels (50 visite)

Sholokh M, Improta R, Mori M, Sharma R, Kenfack C, Shin D, Voltz K, Stote RH, Zaporozhets OA, Botta M, Tor Y, Mely Y

Angew Chem Int Ed (ISSN: 1521-3773electronic, 1433-7851linking), 2016 Jun 8; N/D: N/D-N/D.

Tipo di articolo: Journal Article,

Impact factor: 11.994

Impact factor a 5 anni: 11.838


Parole chiave: Ab Initio Calculations, Fluorescence, Molecular Modeling, Nucleic Acids, Tautomerism,

Url: Non disponibile.

Thienoguanosine (th G) is an isomorphic nucleoside analogue acting as a faithful fluorescent substitute of G, with respectable quantum yield in oligonucleotides. Photophysical analysis of th G reveals the existence of two ground-state tautomers with significantly shifted absorption and emission wavelengths, and high quantum yield in buffer. Using (TD)-DFT calculations, the tautomers were identified as the H1 and H3 keto-amino tautomers. When incorporated into the loop of (-)PBS, the (-)DNA copy of the HIV-1 primer binding site, both tautomers are observed and show differential sensitivity to protein binding. The red-shifted H1 tautomer is strongly favored in matched (-)/(+)PBS duplexes, while the relative emission of the H3 tautomer can be used to detect single nucleotide polymorphisms. These tautomers and their distinct environmental sensitivity provide unprecedented information channels for analyzing G residues in oligonucleotides and their complexes.
*** IBB - CNR ***

Laboratoire de Biophotonique et Pharmacologie, Faculte de Pharmacie, UMR 7213 CNRS, Universite de Strasbourg, 74 route du Rhin, 67401, Illkirch, France., Department of Chemistry, Kyiv National Taras Shevchenko University, 60 Volodymyrska street, 01033, Kyiv, Ukraine., Consiglio Nazionale delle Ricerche, Istituto di Biostrutture e Bioimmagini, Via Mezzocannone 16, 80134, Napoli, Italy., Dipartimento di Biotecnologie, Chimica e Farmacia, Universita degli Studi di Siena, Via Aldo Moro 2, 53100, Siena, Italy., Center for Life Nano Science@Sapienza, Istituto Italiano di Tecnologia, viale Regina Elena 291, 00161, Roma, Italy., Laboratoire O'Optique et Applications, Centre de Physique Atomique Moleculaire et Optique Quantique, Universite de Douala, BP 8580, Douala, Cameroon., Department of Chemistry and Biochemistry, University of California, San Diego, 9500 Gilman Dr, La Jolla, CA, 92093-0358, USA., Department of Integrative Structural Biology, Institut de Genetique et de Biologie Moleculaire et Cellulaire, INSERM U964 UMR 7104 CNRS, Universite de Strasbourg, 67400, Illkirch, France., Department of Chemistry and Biochemistry, University of California, San Diego, 9500 Gilman Dr, La Jolla, CA, 92093-0358, USA. ytor@ucsd.edu., Laboratoire de Biophotonique et Pharmacologie, Faculte de Pharmacie, UMR 7213 CNRS, Universite de Strasbourg, 74 route du Rhin, 67401, Illkirch, France. yves.mely@unistra.fr.,
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* Photophysics of Deoxycytidine and 5-Methyldeoxycytidine in Solution: A Comprehensive Picture by Quantum Mechanical Calculations and Femtosecond Fluorescence Spectroscopy (32 visite)
Martinez-fernandez L, Pepino AJ, Segarra-marti J, Jovaisaite J, Vaya I, Nenov A, Markovitsi D, Gustavsson T, Banyasz A, Garavelli M, Improta R
J Am Chem Soc (ISSN: 1520-5126electronic, 0002-7863linking), 2017 Jun 14; 139(23): 7780-7791.
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* Disclosing the Interaction of Carbonic Anhydrase IX with Cullin-Associated NEDD8-Dissociated Protein 1 by Molecular Modeling and Integrated Binding Measurements (47 visite)
Buonanno M, Langella E, Zambrano N, Succoio M, Sasso E, Alterio V, Di Fiore A, Sandomenico A, Supuran CT, Scaloni A, Monti SM, De Simone G
Acs Chem Biol (ISSN: 1554-8937electronic, 1554-8929linking), 2017 Apr 19; N/D: N/D-N/D.
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* Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases (89 visite)
Improta R, Santoro F, Blancafort L
Chemical Reviews (ISSN: 0009-2665), 2016; 116(6): 3540-3593.
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* Incorporation of Naked Peptide Nucleic Acids into Liposomes Leads to Fast and Efficient Delivery (76 visite)
Avitabile C, Accardo A, Ringhieri P, Morelli G, Saviano M, Montagner G, Fabbri E, Gallerani E, Gambari R, Romanelli A
Bioconjugate Chemistry (ISSN: 1043-1802, 1520-4812), 2015; 26(8): 1533-1541.
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* TD-DFT investigation of the magnetic circular dichroism spectra of some purine and pyrimidine bases of nucleic acids (77 visite)
Fahleson T, Kauczor J, Norman P, Santoro F, Improta R, Coriani S
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2015; 119(21): 5476-5489.
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* Ultrafast Excited-State Deactivation of 8-Hydroxy-2′-deoxyguanosine Studied by Femtosecond Fluorescence Spectroscopy and Quantum-Chemical Calculations (69 visite)
Changenet-Barret P, Gustavsson T, Improta R, Markovitsi D
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2015; 119(23): 6131-6139.
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* First-principle computation of absorption and fluorescence spectra in solution accounting for vibronic structure, temperature effects and solvent inhomogenous broadening (128 visite)
Avila Ferrer FJ, Cerezo J, Soto J, Improta R, Santoro F
Comput Theor Chem Elsevier (ISSN: 2210-271x), 2014 Jul 15; 1040-1041: 328-337.
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* Binding ability of a thymine-functionalized oligolysine towards nucleic acids (77 visite)
Roviello GN, Musumeci D, D'Alessandro C, Pedone C
Bioorg Med Chem (ISSN: 1464-3391, 0968-0896, 1464-3391electronic), 2014 Feb 1; 22(3): 997-1002.
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* A novel fully water-soluble Cu(i) probe for fluorescence live cell imaging (69 visite)
Giuffrida ML, Rizzarelli E, Tomaselli GA, Satriano C, Trusso Sfrazzetto G
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2014; 50(69): 9835-9838.
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* Fluorescence study for selecting specific ligands toward HER2 receptor: An example of receptor fragment approach (64 visite)
Calce E, Monfregola L, Sandomenico A, Saviano M, De Luca S
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 1768-3254electronic), 2013 Mar; 61: 116-121.
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* Isothermal amplification methods for the detection of nucleic acids in microfluidic devices (95 visite)
Zanoli LM, Spoto G
Biosensors (ISSN: 2079-6374), 2013 Mar; 3(1): 18-43.
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* Role Of The Unstructured N-Terminal Domain Of The Human Apurinic/Apyrimidinic Endonuclease 1 (hape1) In The Modulation Of Its Interaction With Nucleic Acids And Nucleophosmin (npm1) (91 visite)
Poletto M, Vascotto C, Scognamiglio PL, Lirussi L, Marasco D, Tell G
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2013; 452(3): 545-557.
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* Cation effect on the electronic excited states of guanine nanostructures studied by time-resolved fluorescence spectroscopy (67 visite)
Hua Y, Changenet-Barret P, Improta R, Vaya I, Gustavsson T, Kotlyar AB, Zikich D, Sket P, Plavec J, Markovitsi D
J Phys Chem C (ISSN: 1932-7447), 2012 Jul 12; 116(27): 14682-14689.
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* Targeting pre-miRNA by peptide nucleic acids: a new strategy to interfere in the miRNA maturation (87 visite)
Avitabile C, Saviano M, D'Andrea LD, Bianchi N, Fabbri E, Brognara E, Gambari R, Romanelli A
Artif Dna Pna Xnaartificial Dna Pna & Xna (ISSN: 1949-9096, 1949-0968, 1949-095x), 2012 Apr; 3(2): 88-96.
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* Nucleobase-containing peptides: a spectroscopic study of their properties and nucleic acids recognition ability (63 visite)
Roviello GN, Musumeci D, Bucci EM, Pedone C
Eur Biophys J (ISSN: 0175-7571, 1432-1017), 2011 Sep; 40: N/D-N/D.
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* Femtosecond fluorescence studies of DNA/RNA constituents (49 visite)
Gustavsson T, Banyasz A, Improta R, Markovitsi D
J Phys Conf Ser (ISSN: 1742-6588), 2011; 261(1): 13-13.
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* Synthesis of a l-lysine-based alternate alpha, epsilon-peptide: A novel linear polycation with nucleic acids-binding ability (82 visite)
Moccia M, Roviello GN, Bucci EM, Pedone C, Saviano M
Int J Pharm International Journal Of Pharmaceutics (ISSN: 0378-5173, 1873-3476), 2010 Sep 15; 397(1-2): 179-183.
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* Synthesis, Characterization And Hybridization Studies Of An Alternate Nucleo-Epsilon/Gamma-Peptide: Complexes Formation With Natural Nucleic Acids (69 visite)
Roviello GN, Musumeci D, Pedone C, Bucci EM
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2010 Jan; 38(1): 103-111.
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* Anticancer steroid sulfatase inhibitors: synthesis of a potent fluorinated second-generation agent, in vitro and in vivo activities, molecular modeling, and protein crystallography (85 visite)
Woo LWL, Fischer DS, Sharland CM, Trusselle M, Foster PA, Chander SK, Di Fiore A, Supuran CT, De Simone G, Purohit A, Reed MJ, Potter BVL
Mol Cancer Ther Molecular Cancer Therapeutics (ISSN: 1535-7163, 1538-8514electronic), 2008 Sep; 7(8): 2435-2444.
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* Assessing solvent effects on the singlet excited state lifetime of uracil derivatives: A femtosecond fluorescence upconversion study in alcohols and D2O (56 visite)
Gustavsson T, Bányász A, Sarkar N, Markovitsi D, Improta R
Chem Phys (ISSN: 0301-0104), 2008 Jun 23; 350(1-3): 186-192.
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* Molecular modeling and functional characterization of the monomeric primase-polymerase domain from the Sulfolobus solfataricus plasmid pIT3 (70 visite)
Prato S, Vitale RM, Contursi P, Lipps G, Saviano M, Rossi M, Bartolucci S
Febs J (ISSN: 1742-464x), 2008; 275(17): 4389-4402.
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* Surface plasmon-based optical detection of DNA peptide nucleic acids (81 visite)
Zanoli L, Dagata R, Spoto G
Minerva Biotecnol (ISSN: 1120-4826), 2008; 20(4): 165-174.
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* Time-resolved fluorescence spectroscopy and molecular dynamics simulations point out the effects of pressure on the stability and dynamics of the porcine odorant-binding protein (66 visite)
Staiano M, Saviano M, Herman P, Grycznyski Z, Fini C, Varriale A, Parracino A, Kold AB, Rossi M, D'Auria S
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2008; 89(4): 284-291.
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* Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach (54 visite)
Improta R, Scalmani G, Frisch MJ, Barone V
J Chem Physj Chem Phys (ISSN: 0021-9606), 2007 Sep 21; 127(7): N/D-N/D.
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* Molecular modeling study for the binding of zonisamide and topiramate to the human mitochondrial carbonic anhydrase isoform VA (74 visite)
Vitale RM, Pedone C, Amodeo P, Antel J, Wurl M, Scozzafava A, Supuran CT, De Simone G
Bioorg Med Chem (ISSN: 0968-0896, 1464-3391, 1464-3391electronic), 2007 Jun 15; 15(12): 4152-4158.
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* Solvent effects on the steady-state absorption and fluorescence spectra of uracil, thymine and 5-fluorouracil (62 visite)
Gustavsson T, Sarkar N, Banyasz A, Markovitsi D, Improta R
Photochem Photobiol (ISSN: 0031-8655), 2007 May; 83(3): 595-599.
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* Ab initio calculations of absorption spectra of large molecules in solution: Coumarin C153 (69 visite)
Improta R, Barone V, Santoro F
Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic), 2007; 46(3): 405-408.
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* Dabpna: Design, Synthesis And Nucleic Acids Binding Studies (54 visite)
Roviello GN, Musumeci D, Moccia M, Castiglione M, Sapio R, Valente M, Bucci EM, Perretta G, Pedone C
Nucleosides Nucleotides Nucleic Acids (ISSN: 1525-7770), 2007; 26(10-12): 1307-1310.
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* Towards the understanding of the excited state dynamics of nucleic acids: Solvent and stacking effect on the photophysical behavior of nucleobases (56 visite)
Santoro F, Gustavsson T, Lami S, Barone V, Improta R
Aip Conf Proc (ISSN: 0094-243x), 2007; 963(2): 631-634.
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* Singlet excited state dynamics of uracil and thymine derivatives: A femtosecond fluorescence upconversion study in acetonitrile (49 visite)
Gustavsson T, Sarkar N, Lazzarotto E, Markovitsi D, Improta R
Chemical Physics Letters (ISSN: 0009-2614), 2006 Oct 5; 429(4-6): 551-557.
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* Carbonic anhydrase inhibitors: X-ray and molecular modeling study for the interaction of a fluorescent antitumor sulfonamide with isozyme II and IX (81 visite)
Alterio V, Vitale RM, Monti SM, Pedone C, Scozzafava A, Cecchi A, De Simone G, Supuran CT
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Jun 28; 128(25): 8329-8335.
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* Inclusion of naturally occurring amino acids in water soluble calix[4]arenes: A microcalorimetric and 1H NMR investigation supported by molecular modeling (70 visite)
Arena G, Casnati A, Contino A, Magrì A, Sansone F, Sciotto D, Ungaro R
Org Biomol Chem (ISSN: 1477-0520, 1477-0539, 1477-0539electronic), 2006 Jan 21; 4(2): 243-249.
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* A combined femtosecond fluorescence and TD-DFT study of uracil derivatives in aqueous solution (56 visite)
Gustavsson T, Lazzarotto E, Markovitsi D, Banyasz AA, Improta R, Scalmani G
Femtochemistry Vii Elsevier (ISSN: 9780-4445), 2006; N/D: 254-257.
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* Receptor fragment approach to the binding between CCK8 peptide and cholecystokinin receptors: A fluorescence study on type B receptor fragment CCKB-R (352-379) (68 visite)
De Luca S, Sanseverino M, Zocchi I, Pedone C, Morelli G, Ragone R
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2005 Mar; 77(4): 205-211.
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* Absorption and fluorescence spectra of uracil in the gas phase and in aqueous solution: A TD-DFT quantum mechanical study (133 visite)
Improta R, Barone V
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2004 Nov 10; 126(44): 14320-14321.
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* Peptide nucleic acids (PNA)-DNA chimeras targeting transcription factors as a tool to modify gene expression (83 visite)
Borgatti M, Finotti A, Romanelli A, Saviano M, Bianchi N, Lampronti I, Lambertini E, Penolazzi L, Nastruzzi C, Mischiati C, Piva R, Pedone C, Gambari R
Curr Drug Targets (ISSN: 1389-4501), 2004 Nov; 5(8): 735-744.
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* Formulations for natural and peptide nucleic acids based on cationic polymeric submicron particles (66 visite)
Cortesi R, Mischiati C, Borgatti M, Breda L, Romanelli A, Saviano M, Pedone C, Gambari R, Nastruzzi C
The Aaps Journal (ISSN: 1522-1059, 1550-7416), 2004 Jan 20; 6(1): N/D-N/D.
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* The role of segment 32-47 of cholecystokinin receptor type A in CCK8 binding: Synthesis, nuclear magnetic resonance, circular dichroism and fluorescence studies (61 visite)
De Luca S, Ragone R, Bracco C, Digilio G, Tesauro D, Saviano M, Pedone C, Morelli G
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2003 Mar; 9(3): 156-169.
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* Differences In The Central Nervous System Distribution And Pharmacology Of The Mouse 5-Hydroxytryptamine-6 Receptor Compared With Rat And Human Receptors Investigated By Radioligand Binding, Site-Directed Mutagenesis, And Molecular Modeling (54 visite)
Hirst WD, Abrahamsen B, Blaney FE, Calver AR, Aloj L, Price GW, Medhurst AD
Molecular Pharmacology, 2003; 64: 1295-1308.
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* Transcription factor decoy (TFD) activity of peptide nucleic acids (PNA)-DNA chimeras (58 visite)
Gambari R, Borgatti M, Romanelli A, Capasso D, Saviano M, Bianchi N, Lampronti I, Mischiati C, Pedone C
International Journal Of Molecular Medicine (ISSN: 1107-3756), 2003; 12(Supplement1): N/D-N/D.
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Fluorescence studies on the binding between 1-47 fragment of cholecystokinin receptor CCKA-R(1-47) and nonsulfated cholecystokinin octapeptide CCK8 (86 visite)
Ragone R, De Luca S, Tesauro D, Pedone C, Morelli G
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000; 56(1): 47-53.
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MS-2 fibrosarcoma characterization by laser induced autofluorescence (56 visite)
Colasanti A, Kisslinger A, Fabbrocini G, Liuzzi R, Quarto M, Riccio P, Roberti G, Villani F
Lasers Surg Med (ISSN: 0196-8092print, 0196-8092linking), 2000; 26(5): 441-448.
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Imaging of kinked configurations of DNA molecules undergoing orthogonal field alternating gel electrophoresis by fluorescence microscopy (45 visite)
Gurrieri S, Rizzarelli E, Beach D, Bustamante C
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 1990 Apr 3; 29(13): 3396-3401.
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43 Records (38 escludendo Abstract e Conferenze).
Impact factor totale: 188.933 (178.977 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 203.942 (190.441 escludendo Abstract e Conferenze).

Interrogazione bibliografica effettuata: (([btitle] "Ab Initio Calculations" OR [btitle] "Fluorescence" OR [btitle] "Molecular Modeling" OR [btitle] "Nucleic Acids" OR [btitle] "Tautomerism") AND NOT [id] = 53284)







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