Authors: Axt M.; Oulyadi H.; Pannecoucke X.; Quirion J-C.; Pohlmann A.R.; Uberti Costa V.E.m.i.l.i.o.

Source: Current Drug Discovery Technologies, Volume 1, Number 2, June 2004 , pp. 155-164(10)

Publisher: Bentham Science Publishers

Abstract:

A variety of endo-3,6-tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-endo-diol depsipeptide or bis-amino acid derivatives containing the same parallel strands were synthesised and examined for conformational preferences by NMR. The study indicates that this novel class of constrained peptides displays -turn-like and -sheet-like conformations. Evidences are supported by observation of the rates of proton-deuterium exchange, nuclear Overhauser effects and further by dynamic simulations, semi-empirical and ab initio calculations. The chemical shifts were measured in CDCl3 and CDCl3 with 15% DMSO-d6 solutions. It was carried out a van't Hoff analysis, which is in agreement with the theoretical studies. In chloroform-d, for the derivatives 3-6 the hydrogen-bonded species are enthalpically preferred but entropically disfavoured.

Keywords: Polycyclic compounds; peptide; conformational analysis

Document Type: Review article

DOI: http://dx.doi.org/10.2174/1570163043335081

Affiliations: 1: Instituto de Quimica, Universidade Federal do Rio Grande do Sul. CP 15003. Av. Bento Gonçalves, 9500 - Porto Alegre 91.501-970 - RS-Brasil;

Publication date: 2004-06-01

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• Due to the plethora of new approaches being used in modern drug discovery by the pharmaceutical industry, Current Drug Discovery Technologies has been established to provide comprehensive overviews of all the major modern techniques and technologies used in drug design and discovery. The journal is the forum for publishing both original research papers and reviews describing novel approaches and cutting edge technologies used in all stages of drug discovery. The journal addresses the multidimensional challenges of drug discovery science including integration issues of the drug discovery process.
  
  Current Drug Discovery Technologies is an essential journal for all scientists and research managers involved in drug discovery who wish to keep abreast of all the modern techniques and technologies used in drug discovery.

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