Conformational analysis of (N-demethyl-tyr(OCH3)-3)Ra-VII, conformationally restricted model approach.
1991; Pharmaceutical Society of Japan; Volume: 39; Issue: 8 Linguagem: Inglês
10.1248/cpb.39.2161
ISSN1347-5223
AutoresHideji Itokawa, K. Saitou, Hiroshi Morita, Koichi Takeya,
Tópico(s)Pharmacological Effects of Natural Compounds
ResumoA molecular design was carried out in a way that locked the type II β-turn conformation of RA-VII, which was isolated from Rubia cordifolia and R.akane, by removing the N-methyl group of the Tyr-3 residue. Conformational analysis of [N-Demethyl-Tyr(OCH3)-3]RA-VII, derived from RA-VII by hepatic microsomal biotransformation, was conducted by 2D-NMR techniques, temperature effect on NH protons, and NOE experiments. It showed a restricted conformational state with a typical type II β-turn structure between Ala-2 and Tyr-3 in solution.
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