Energy conformation study of Met-enkephalin and its D-Ala2 analogue and their resemblance to rigid opiates

Autor:	Gilda H. Loew, Stanley Burt
Rok vydání:	1978
Předmět:	Met-enkephalin Multidisciplinary Morphine Chemistry Stereochemistry Molecular Conformation Enkephalins Molecular conformation Structure-Activity Relationship chemistry.chemical_compound nervous system Intermediate energy Thermodynamics Moiety Endorphins Conformational isomerism Research Article
Zdroj:	Proceedings of the National Academy of Sciences. 75:7-11
ISSN:	1091-6490 0027-8424
Popis:	Conformational similarities of Met-enkephalin and its D-Ala2 analogue to rigid opiates were studied by both empirical and quantum mechanical methods. By both methods, conformers with maximum resemblance to rigid opiates have the highest energies. Conformers with the lowest energy had no resemblance to rigid opiates. However, several low and intermediate energy conformers were identified in which at least the NH2-terminal tyrosine residue overlaps with the phenethylamine moiety of rigid opiates and which could equally well accommodate either Gly2 or D-Ala2. The conformer among these with greatest additional resemblance to other binding sites of rigid opiates is proposed as the most likely candidate for an induced fit at the receptor site.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b05cf5fc8f5073d5a3a440f33ec08980 https://doi.org/10.1073/pnas.75.1.7 Zobrazit plný text záznamu