Sylwia Rodziewicz-Motowidło
Poland
Research Article
Conformational Studies of [11Ψ12(CN4)]ScyII and [15Ψ16(CN4)]ScyII– Two Scyliorhinin II Analogues by means of 2D NMR Spectroscopy and Theoretical Methods
Author(s): Krzysztof Brzozowski, Emilia Sikorska, Hanna Miecznikowska, Katarzyna Konecko, RafaÅÂ ÅÂlusarz, Jolanta Kumirska, Witold Mozga,Jacek Olczak, Janusz Zabrocki, Sylwia Rodziewicz-MotowidÅÂo and Zbigniew KaczyÅÂski
Krzysztof Brzozowski, Emilia Sikorska, Hanna Miecznikowska, Katarzyna Konecko, RafaÅ Ålusarz, Jolanta Kumirska, Witold Mozga,Jacek Olczak, Janusz Zabrocki, Sylwia Rodziewicz-MotowidÅo and Zbigniew KaczyÅski
A conformational analysis of two analogues of scyliorhinin II [11?12(CN4])]ScyII and [15?16(CN4)]ScyII was performed in DMSO-d6. 2D NMR techniques and restrained molecular dynamics were applied. Our previous studies had shown Scyliorhinin II adopts three cis peptide bonds in DMSO-d6 solution. Moreover, in its two analogues [Aib16] ScyII and [Sar16]ScyII, we also found cis peptide bond geometries. Taking above into consideration, we decided to perform extensive conformational studies of restrained ScyII analogues. To do so, we introduced tetrazole groups into either of peptides studied. These peptides were synthesized by the solid-phase method using the Fmoc chemistry. In the case of two analogues, the following spectra were recorded: TOCSY, NOESY, ROESY, DQF-COSY and set of temperature ones. To obtain final structures, we performed restrained molecular dynamics simulations carried out us.. View More»
DOI:
10.4172/2167-7956.1000109