Molecular modelling of the structures of endothelin antagonists Identification of a possible structural determinant for ET‐A receptor binding

FEBS Letters

Barlow, David¹  Satoh, Takashi¹ 

[1] Department of Pharmacy, King's College London, Manresa Road, London SW3 6LX, UK

关键词: Endothelin;    Endothelin antagonist;    Endothelin receptor;    Computer modelling;    Peptide structure;    Cyclic peptide;    Drug design;   

DOI  :  10.1016/0014-5793(92)81152-C

学科分类：生物化学/生物物理

来源: John Wiley & Sons Ltd.

【 摘 要 】

Computer-aided molecular modelling of the endothelin (ET-A) receptor antagonists, BQ-123 and BE-18257B. shows that they have very similar 3D structures. Parts of their 3D structures are also shown to match closely with that reported for residues 6–8 in endothelin-1. On the basis of these similarities (and with supporting evidence from literature data on endothelin structure—activity relationships) a structural determinant is proposed for ET-A receptor binding, and novel designs of peptide are suggested for providing more potent and selective ET-A receptor antagonists.

【 授权许可】

Unknown