Conformation o f Cyclic Dipeptides. Ab Initio Calculations on cyclo (Glycyl-Glycyl), cyclo (D-Alanyl-L-Alanyl), and cyclo (L-Alanyl-L-Alan y l )
Conformational investigations of cyclic dipeptides: Cyclo-glycyl-L-methionyl, cyclo-glycyl-D,L-norleucyl and cyclo-glycyl-D,L-norvalyl
✍ Scribed by I. Z. Siemion; B. Picur
- Publisher
- John Wiley and Sons
- Year
- 1984
- Tongue
- English
- Weight
- 440 KB
- Volume
- 22
- Category
- Article
- ISSN
- 0749-1581
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✦ Synopsis
Abstract
The E~0~ rotamer of c‐Gly‐Met has been found to be almost as equally populated as the F rotamer at low temperatures, whereas in c‐Gly‐D,L‐Nle and c‐Gly‐D,L‐Nvl the F rotamer predominates. The increase of the E~0~ rotamer population parallels the increase of the boat diketopiperazine (DKP) ring conformation, in which Med side‐chain occupies a pseudoaxial position. Thermodynamic parameters for DKP ring inversion and for conformational transitions in the side‐chains were experimentally determined for each cyclic dipeptide investigated.
📜 SIMILAR VOLUMES
Conformational energy calculations, aimed at verification of the suitability of the semiempirical molecular orbital CND0/2 method for conformational elucidations in cyclic dipeptides formed from amino acids with aliphatic side chains, have been carried out. The results obtained for four dioxopiperaz