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

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

Research output: Contribution to journalArticleResearchpeer-review

Abstract

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
Volume48
Publication statusPublished - 1996

Keywords

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

Cite this

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title = "Molecular modelling of beta turns in a cyclic melanotropin: J Pharm Pharmacol",
abstract = "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.",
keywords = "Amino Acid Sequence Models, Molecular Molecular Sequence Data Protein Conformation Receptors, Corticotropin/metabolism Receptors, Melanocortin alpha-MSH/analogs & derivatives/*chemistry",
author = "Chan, {N. C.} and Branch, {S. K.} and Moss, {S. H.} and Pouton, {C. W.}",
note = "M1 - 2 Chan, N C Branch, S K Moss, S H Pouton, C W eng ENGLAND 1996/02/01 J Pharm Pharmacol. 1996 Feb;48(2):218-22.",
year = "1996",
language = "English",
volume = "48",
pages = "218--222",
journal = "Journal of Pharmacy and Pharmacology",
issn = "0022-3573",
publisher = "Wiley-Blackwell",

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Molecular modelling of beta turns in a cyclic melanotropin : J Pharm Pharmacol. / Chan, N. C.; Branch, S. K.; Moss, S. H.; Pouton, C. W.

In: Journal of Pharmacy and Pharmacology, Vol. 48, 1996, p. 218-222.

Research output: Contribution to journalArticleResearchpeer-review

TY - JOUR

T1 - Molecular modelling of beta turns in a cyclic melanotropin

T2 - J Pharm Pharmacol

AU - Chan, N. C.

AU - Branch, S. K.

AU - Moss, S. H.

AU - Pouton, C. W.

N1 - M1 - 2 Chan, N C Branch, S K Moss, S H Pouton, C W eng ENGLAND 1996/02/01 J Pharm Pharmacol. 1996 Feb;48(2):218-22.

PY - 1996

Y1 - 1996

N2 - 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.

AB - 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.

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

M3 - Article

VL - 48

SP - 218

EP - 222

JO - Journal of Pharmacy and Pharmacology

JF - Journal of Pharmacy and Pharmacology

SN - 0022-3573

ER -