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| Type |
Poster Presentation |
| Area |
Analytical Chemistry |
| Room No. |
Event Hall |
| Time |
4월 19일 (목요일) 11:00~12:30 |
| Code |
ANAL.P-290 |
| Subject |
Solution Structure Elucidation of Nodularin By 2D-NOESY Back-calculations
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| Authors |
GilHoon Kim, Hoshik Won1,*
Department of Applied Chemistry, Hanyang University, Korea
1Department of Chemical and Molecular Engineering, Hanyang University, Korea
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| Abstract |
Nodularin is a toxic and cyclic pentapeptide produced by the filamentous, planktonic cyanobacterium nodularia spumigena. The formula for this compounds is cyclo[(Z)-2,3-didehydro-N-methyl-2-aminobutanoyl-erythro-3-methyl-β-D-Asp-L-Arg-Adda-γ-D-Glu], where Adda is 3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4(E),6(E)-dienoic acid. Nodularin is a similar structure to microcystin and seven isoforms have been reported. These nodularins are potent hepatotoxin in humans and other animals. 1H-NMR and 2D-NMR(COSY, TOCSY, NOESY) experiments were accomplished in DMSO-d6 and signal assignment of nodularin was made. The solution structure of this compound was investigated with use of 2D-NMR and distance information. The distance information between proton pairs was obtained by NOE cross peak intensities of NOESY spectrum. On the basis of these distance data, distance geometry and molecular dynamic were carried out to determine the tertiary structure of nodularin. DG structure of nodularin was low penalty value under 0.3 Å, and the total RMSD obtained upon superposition of all atoms were in the range under 0.5 Å.
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| E-mail |
kghpotter@naver.com |
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121st General Meeting of the KCS