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Pregled bibliografske jedinice broj: 305052

NMR Investigations and Supporting ab initio Calculations on Oligonucleotide-Porphyrin Complexes


Haeubl, Martin; Nausner, Martin; Trantírek, Lukas; Smrečki, Vilko; Müller, Norbert; Schoefberger, Wolfgang
NMR Investigations and Supporting ab initio Calculations on Oligonucleotide-Porphyrin Complexes // 1st International Conference on Bioinformatics Research and Development / Hochreiter, Sepp ; Kueng, Josef ; Palkoska, Juergen ; Wagner, Roland (ur.).
Wien: Oesterreichische Computer Gesellschaft, 2007. str. 43-52 (poster, međunarodna recenzija, cjeloviti rad (in extenso), znanstveni)


Naslov
NMR Investigations and Supporting ab initio Calculations on Oligonucleotide-Porphyrin Complexes

Autori
Haeubl, Martin ; Nausner, Martin ; Trantírek, Lukas ; Smrečki, Vilko ; Müller, Norbert ; Schoefberger, Wolfgang

Vrsta, podvrsta i kategorija rada
Radovi u zbornicima skupova, cjeloviti rad (in extenso), znanstveni

Izvornik
1st International Conference on Bioinformatics Research and Development / Hochreiter, Sepp ; Kueng, Josef ; Palkoska, Juergen ; Wagner, Roland - Wien : Oesterreichische Computer Gesellschaft, 2007, 43-52

ISBN
978-3-85403-217-5

Skup
1st International Conference on Bioinformatics Research and Development

Mjesto i datum
Berlin, Njemačka, 12.-14.03.2007

Vrsta sudjelovanja
Poster

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
NMR; DNA; oligonucleotide-porphyrin complex

Sažetak
The aim of the study is to confirm the binding mode and obtain detailed structural information of cationic porphyrins to DNA. For combined NMR investigations and complementary quantum mechanical calculations, model compounds have been selected to investigate the DNA-porphyrin interaction. Quantum mechanical calculations have been performed on the model system 5, 10, 15, 20-tetrakis(pyridinium-4-yl)porphyrin (TPyP). The structure of the porphyrin was optimized with respect to the dihedral angles between the pyridyl groups and the porphyrin plane. The conformational energy minimum occurs close to a pyridyl torsion of ∂ =90º . After preliminary investigations using circular dichroism spectroscopy, indicated that the binding mode is by intercalation, further structural investigations of the oligonucleotide d(GCGCGC)2 and its complexes with 5, 10, 15, 20-tetrakis(N-methylpyridinium-4-yl)porphyrin tetrachloride (TMPyP-Cl4) by NMR spectroscopy were performed. With these experiments the intercalative binding mode of TMPyP-Cl4 was confirmed, and a significant change in the dihedral angles beta and epsilon of the phosphorous backbone upon TMPyP-Cl4 binding could be observed.

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA


Projekt / tema
098-0982929-2917 - Spektroskopija NMR i modeliranje bioaktivnih molekula (Dejan Plavšić, )

Ustanove
Institut "Ruđer Bošković", Zagreb

Autor s matičnim brojem:
Vilko Smrečki, (190003)

Citiraj ovu publikaciju

Haeubl, Martin; Nausner, Martin; Trantírek, Lukas; Smrečki, Vilko; Müller, Norbert; Schoefberger, Wolfgang
NMR Investigations and Supporting ab initio Calculations on Oligonucleotide-Porphyrin Complexes // 1st International Conference on Bioinformatics Research and Development / Hochreiter, Sepp ; Kueng, Josef ; Palkoska, Juergen ; Wagner, Roland (ur.).
Wien: Oesterreichische Computer Gesellschaft, 2007. str. 43-52 (poster, međunarodna recenzija, cjeloviti rad (in extenso), znanstveni)
Haeubl, M., Nausner, M., Trantírek, L., Smrečki, V., Müller, N. & Schoefberger, W. (2007) NMR Investigations and Supporting ab initio Calculations on Oligonucleotide-Porphyrin Complexes. U: Hochreiter, S., Kueng, J., Palkoska, J. & Wagner, R. (ur.)1st International Conference on Bioinformatics Research and Development.
@article{article, year = {2007}, pages = {43-52}, keywords = {NMR, DNA, oligonucleotide-porphyrin complex}, isbn = {978-3-85403-217-5}, title = {NMR Investigations and Supporting ab initio Calculations on Oligonucleotide-Porphyrin Complexes}, keyword = {NMR, DNA, oligonucleotide-porphyrin complex}, publisher = {Oesterreichische Computer Gesellschaft}, publisherplace = {Berlin, Njema\v{c}ka} }