scholarly journals Combined use of NMR, distance geometry, and restrained energy minimization for the conformational analysis of 8-lysine–vasopressin

1992 ◽  
Vol 70 (7) ◽  
pp. 1950-1955 ◽  
Author(s):  
Chin Yu ◽  
Ta-Horng Yang ◽  
Chao-Jung Yeh ◽  
Li-Chin Chuang
Keyword(s):  
Conformational Analysis ◽  
Energy Minimization ◽  
Distance Geometry ◽  
2D Nmr ◽  
Membered Ring ◽  
Dmso Solution ◽  
Tail Region ◽  
Lysine Vasopressin ◽  
Combined Use ◽  
Neurohypophyseal Hormone

The conformation of the neurohypophyseal hormone, 8-lysine–vasopressin, in DMSO solution has been determined from 2D-NMR and distance geometry followed by the restrained energy minimization calculation. The conformation of 8-lysin–vasopressin in the 20-membered ring region is well defined but the acyclic tripeptide tail region is disordered.

Conformational analysis of human atrial natriuretic polypeptide by NMR and distance geometry algorithm

Peptides ◽  
1988 ◽  
pp. 42-43 ◽  
Author(s):  
Y. Kobayashi ◽  
T. Ohkubo ◽  
Y. Kyogoku ◽  
S. Koyama ◽  
M. Kobayashi ◽  
...  
Keyword(s):  
Conformational Analysis ◽  
Distance Geometry ◽  
Atrial Natriuretic Polypeptide ◽  
Atrial Natriuretic

scholarly journals Antitumor Trans Platinum Adducts of GMP and AMP

2000 ◽  
Vol 7 (4) ◽  
pp. 169-176 ◽  
Author(s):  
Yangzhong Liu ◽  
Maria F. Sivo ◽  
Giovanni Natile ◽  
Einar Sletten
Keyword(s):  
Antitumor Activity ◽  
Energy Minimization ◽  
Qualitative Agreement ◽  
Early Stage ◽  
2D Nmr ◽  
The Other ◽  
Coordination Geometry ◽  
Nmr Data ◽  
Monofunctional Adducts

Recently it has been shown that several analogues of the clinically ineffective trans-DDP exhibit antitumor activity comparable to that of cis-DDP. The present paper describes the binding of antitumor trans-[PtCl2(E-iminoether)2] (trans-EE) to guanosinemonophosphate (GMP) and adenosinemonophosphate (AMP). We have used HPLC and H1 and N15 NMR to characterize the different adducts. In the case of a 1:1 mixture of trans-EE and GMP, at an early stage of the reaction, a monofunctional adduct is formed which, subsequently, is partly converted into a monosolvated monofunctional species. After about 70 hours an equilibrium is established between chloro and solvato monofunctional adducts at a ratio of 30/70. In the presence of excess GMP (4:1) the initially formed monofunctional adducts react further to give two bifunctional adducts, one with the iminoether ligands in their original E configurations and the other with the iminoether ligands having one E and the other, Z configurations. The coordination geometry obtained by energy minimization calculations is in qualitative agreement with 2D NMR data.

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