Molecular modeling of GnRH analogues in DMSO solution using nuclear magnetic resonance (NMR) and molecular dynamics (MD) [Abstract]

Laimou, D., Mantzourani, Efthymia D. ORCID: https://orcid.org/0000-0002-6313-1409, Platts, James Alexis ORCID: https://orcid.org/0000-0002-1008-6595, Matsoukas, M. T., Troganis, A. and Tselios, T. 2008. Molecular modeling of GnRH analogues in DMSO solution using nuclear magnetic resonance (NMR) and molecular dynamics (MD) [Abstract]. Journal of Peptide Science 14 (S1) , pp. 128-129. 10.1002/psc.1090

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Abstract

Gonadotropin Releasing Hormone (pGlu-His-Trp-Ser-Tyr-Gly-Leu- Arg-Pro-Gly-NH2, GnRH) plays a signifi cant role in the controlling of gonadotropins and steroids hormones. A large number of linear GnRH analogues has been synthesized and tested for several medical uses. Leuprolide acetate (pGlu-His-Trp-Ser-Tyr-(D)Leu-Leu-Arg-Pro-NHEt, LPA) is a potent GnRH agonist and is used to treat a wide range of sex hormone related disorders, including prostatic cancer, endometriosis and precocious puberty. Despite its widespread use, only limited information based on spectroscopic evidence regarding the solution conformation of Leuprolide are known. Moreover, non crystallographic data is available for the receptor of GnRH (G protein-coupled receptor). The aim of this study was to characterize the conformation of Leuprolide and its modifi ed linear analogue (pGlu-His-Trp-Ser-Tyr(OMe)-(D)Leu-Leu- Arg-Aze-NHEt) in DMSO solution (which simulates better the receptor environment) using Nuclear Magnetic Resonance (NMR) and Molecular Modeling techniques. By using both NMR and Molecular Modeling we have characterized the secondary structural preferences of these GnRH analogues.

Item Type:	Article
Date Type:	Publication
Status:	Published
Schools:	Chemistry Pharmacy
Subjects:	R Medicine > RM Therapeutics. Pharmacology
Additional Information:	Poster presentation abstracts, 30th European Peptide Symposium (30EPS), 31 August – 5 September 2008, Finlandia Hall, Helsinki, Finland
Publisher:	Wiley-Blackwell
ISSN:	1099-1387
Last Modified:	19 Oct 2022 08:36
URI:	https://orca.cardiff.ac.uk/id/eprint/18352

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