Molecular modelling of beta turns in a cyclic melanotropin: J Pharm Pharmacol

N. C. Chan, S. K. Branch, S. H. Moss, C. W. Pouton

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Alpha-Melanocyte stimulating hormone (alpha-MSH) is a tridecapeptide which interacts with a family of G protein-coupled receptors, the melanocortin receptors, to cause its biological effects. We have modelled the low energy conformations of the alpha-MSH derivatives as part of a project to probe the receptor binding conformation of melanocortins, and also to design ligands for targeting cytotoxic drugs to MC1 receptors expressed by melanoma cells. Here we report a molecular dynamics study of beta turns in a cyclic lactam analogue [Nle4, Asp5, D-Phe7, Lys10]alpha-MSH. The data show that it is possible for a beta turn to exist in the ring portion of this molecule which contains the melanocortin conserved sequence - His-Phe-Arg-Trp-, even though the lowest energy conformers lack a beta turn.
Original languageEnglish
Pages (from-to)218-222
Number of pages5
JournalJournal of Pharmacy and Pharmacology
Publication statusPublished - 1996


  • Amino Acid Sequence Models, Molecular Molecular Sequence Data Protein Conformation Receptors, Corticotropin/metabolism Receptors, Melanocortin alpha-MSH/analogs & derivatives/*chemistry

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