Pregled bibliografske jedinice broj: 305052
NMR Investigations and Supporting ab initio Calculations on Oligonucleotide-Porphyrin Complexes
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.).
Beč: Oesterreichische Computer Gesellschaft, 2007. str. 43-52 (poster, međunarodna recenzija, cjeloviti rad (in extenso), znanstveni)
CROSBI ID: 305052 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
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 - Beč : 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, 12.03.2007. - 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
Projekti:
098-0982929-2917 - Spektroskopija NMR i modeliranje bioaktivnih molekula (Plavšić, Dejan, MZOS ) ( CroRIS)
Ustanove:
Institut "Ruđer Bošković", Zagreb
Profili:
Vilko Smrečki
(autor)
