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Conformational energy analysis of retro-all-Dmethionine enkephalin

✍ Scribed by F. A. Momany; J. R. Aubuchon

Publisher
Wiley (John Wiley & Sons)
Year
1978
Tongue
English
Weight
370 KB
Volume
17
Category
Article
ISSN
0006-3525

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✦ Synopsis

Abstract

Empirical conformational energy calculations have been carried out on the molecule retro‐all‐D‐methionine enkephalin. Low‐energy conformers were found by energy minimization and conformational search procedures. The lowest energy conformers wee found toi have some stereochemical relationship to the calculated normal met‐enkephalin conformers, but they were not retro‐all‐D‐equivalent to the Met‐enkephalin structures. The retro‐all‐D‐equivalent conformations were ∼10 kcal/mol higher energy than the low‐energy conformers found here. A structural comparison between the retro‐all‐D‐conformers and the met‐enkephalin conformers shows hat one cannot rely solely on topochemical analysis to predict biological activity for linear retro‐all‐D‐peptides.

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