{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,21]],"date-time":"2025-10-21T00:34:58Z","timestamp":1761006898327,"version":"build-2065373602"},"reference-count":31,"publisher":"Wiley","issue":"5","license":[{"start":{"date-parts":[[2012,4,12]],"date-time":"2012-04-12T00:00:00Z","timestamp":1334188800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Magnetic Reson in Chemistry"],"published-print":{"date-parts":[[2012,5]]},"abstract":"<jats:p>The Growth Hormone Releasing Hexapeptide, GHRP\u20106 was the first of a family of synthetic peptides that enhance the release of the Growth Hormone by the pituitary gland in a dose\u2010dependent manner. Since its discovery, it has been used as a benchmark and starting point in numerous researches aiming to obtain new drugs. Complete resonance assignment of GHRP\u20106 NMR spectra in both open and cyclic forms are reported, showing some differences to random coil chemical shifts. Connectivities observed in the ROESY spectra indicate spatial proximity between the aromatic residues side\u2010chains in both molecules, as well as between residues DPhe5 and Lys6 sidechains. An ensemble of 10 structures was generated for each one of the molecules, showing RMSD values indicative of nonrandom structures. Molecular Dynamics simulations, both with and without explicit solvent, were carried out for GHRP\u20106 and its cyclic analogue. Conformational analysis performed on the trajectories showed a nonrandom structure with a well preserved backbone. The presence of geometrical patterns resembling those typical of \u03c0\u2010\u03c0 interactions in both peptides, suggest that this kind of interactions may be relevant for the biological activity of GHRP\u20106. Same conclusion can be drawn from the spatial proximity of residues DPhe5 and Lys6 sidechains. Copyright \u00a9 2012 John Wiley &amp; Sons, Ltd.<\/jats:p>","DOI":"10.1002\/mrc.3805","type":"journal-article","created":{"date-parts":[[2012,4,12]],"date-time":"2012-04-12T23:34:50Z","timestamp":1334273690000},"page":"364-371","source":"Crossref","is-referenced-by-count":3,"title":["Combined nuclear magnetic resonance spectroscopy and molecular dynamics study of growth hormone releasing hexapeptide GHRP\u20106 and a cyclic analogue"],"prefix":"10.1002","volume":"50","author":[{"given":"Miguel","family":"Fern\u00e1ndez\u2010Oliva","sequence":"first","affiliation":[{"name":"Departamento de Qu\u00edmica F\u00edsica, Facultad de Qu\u00edmica Universidad de La Habana  La Habana 10400 Cuba"},{"name":"Laboratorio de Qu\u00edmica Computacional y Te\u00f3rica, Facultad de Qu\u00edmica Universidad de La Habana  La Habana 10400 Cuba"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"H\u00e9ctor","family":"Santana","sequence":"additional","affiliation":[{"name":"Departamento de Desarrollo y Formulaci\u00f3n Centro de Ingenier\u00eda Gen\u00e9tica y Biotecnolog\u00eda  La Habana 10600 Cuba"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Reynier","family":"Suard\u00edaz","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica F\u00edsica, Facultad de Qu\u00edmica Universidad de La Habana  La Habana 10400 Cuba"},{"name":"Laboratorio de Qu\u00edmica Computacional y Te\u00f3rica, Facultad de Qu\u00edmica Universidad de La Habana  La Habana 10400 Cuba"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jos\u00e9 A.","family":"Gav\u00edn","sequence":"additional","affiliation":[{"name":"Instituto Universitario de Bioorg\u00e1nica Antonio Gonz\u00e1lez Universidad de La Laguna  Santa Cruz de Tenerife Espa\u00f1a Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Carlos S.","family":"P\u00e9rez","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica F\u00edsica, Facultad de Qu\u00edmica Universidad de La Habana  La Habana 10400 Cuba"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2012,4,12]]},"reference":[{"key":"e_1_2_6_2_1","doi-asserted-by":"publisher","DOI":"10.1159\/000184245"},{"key":"e_1_2_6_3_1","doi-asserted-by":"publisher","DOI":"10.1210\/endo-114-5-1537"},{"key":"e_1_2_6_4_1","first-page":"218","volume":"59","author":"Kraft L. 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