Similarity of Ca2+‐bound conformations of morphine and Met‐enkephalin: A computational study

FEBS Letters

Ananthanarayanan, Vettai S.¹  Zhorov, Boris S.¹ 

[1] Department of Biochemistry, McMaster University, Hamilton, Ont., L8N 3Z5, Canada

关键词: Opioid peptide;    Calcium—hormone interaction;    Bioactive conformation;    Computer simulation;   

DOI  :  10.1016/0014-5793(94)01071-4

学科分类：生物化学/生物物理

来源: John Wiley & Sons Ltd.

【 摘 要 】

The conformations of the free and Ca²⁺-bound forms of morphine and Met-enkephalin were compared based on an earlier proposal that extracellular Ca²⁺ may dictate the bioactive conformations of peptide hormones and drugs. A Monte Carlo with energy minimization method was used to calculate Met-enkephalin in the absence and presence of Ca²⁺. The Ca²⁺-bound conformation of Met-enkephalin was found to have an overall shape that matched well with that of morphine. In contrast, the uncomplexed Met-enkephalin did not have such a match. The data suggest that a ternary association of μ-receptor, its ligands and Ca²⁺ may be an initial process in the signal transduction mechanism of opioid peptides.

【 授权许可】

Unknown