{"id":54898,"date":"2006-05-10T00:00:00","date_gmt":"2006-05-10T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/nmr-in-drug-discovery-fromn-screening-to-structure-based-design-of-antitumoral-agents\/"},"modified":"2006-05-10T00:00:00","modified_gmt":"2006-05-10T00:00:00","slug":"nmr-in-drug-discovery-fromn-screening-to-structure-based-design-of-antitumoral-agents","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/polipeptidos-y-proteinas\/nmr-in-drug-discovery-fromn-screening-to-structure-based-design-of-antitumoral-agents\/","title":{"rendered":"Nmr in drug discovery. fromn screening to structure-based design of antitumoral agents"},"content":{"rendered":"<h2>Tesis doctoral de <strong> Ricard-aleix Rodr\u00edguez Mias <\/strong><\/h2>\n<p>La resonancia magn\u00e9tica nuclear se utiliza en la actualidad en pr\u00e1cticamente todas las etapas del proceso de descubrimiento y caracterizaci\u00f3n de f\u00e1rmacos. Durante la presente tesis nos propusimos explorar estas facetas de la rmn tomando como modelo diferentes sistemas relacionadas con c\u00e1ncer. en primer lugar utilizamos prote\u00ednas involucradas en apoptosis (xiap y bcl-xl) para implementar varias metodolog\u00edas de rmn para la caracterizaci\u00f3n de fen\u00f3menos de interacci\u00f3n intermolecular. Se pusieron a punto esquemas de marcaje selectivo de tript\u00f3fano y se evalu\u00f3 su aplicabilidad en procesos de cribado de compuestos. Otros experimentos de cribado masivo (std, waterlogsy) se emplearon para identificar nuevos ligandos de bcl-xl; posteriormente, estrategias de reconstrucci\u00f3n de fragmentos nos permitieron dise\u00f1ar ligandos duales.     las mismas herramientas se utilizaron para el dise\u00f1o y desarrollo de mol\u00e9culas antiangiog\u00e9nicas de la interacci\u00f3n entre vegf y sus receptores. Para este fin, se plantearon dos estrategias diferentes en la identificaci\u00f3n de inhibidores: en primer lugar se pretend\u00eda dise\u00f1ar un ligando pept\u00eddico de afinidad elevada partiendo de dip\u00e9ptidos de menor afinidad y utilizando estrategias de reconstrucci\u00f3n de fragmentos. Una segunda estrategia consist\u00eda en la identificaci\u00f3n de compuestos activos presentes en extractos de plantas utilizando esquemas de marcaje selectivo para vegf, en concreto marcaje selectivo de metioninas. En este \u00faltimo caso se consiguieron identificar varios compuestos flavonoides capaces de interaccionar con vegf y su modo de uni\u00f3n se caracteriz\u00f3 utilizando informaci\u00f3n derivada de experimentos de rmn.     por \u00faltimo se llevo a cabo la caracterizaci\u00f3n estructural de kahalalido f mediante rmn. Este despsip\u00e9ptido de origen marino se encuentra en la actualidad en fases cl\u00ednicas de desarrollo contra varios tipos de c\u00e1ncer, y su caracterizaci\u00f3n estructural presenta enorme inter\u00e9s en la comprensi\u00f3n de su<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Nmr in drug discovery. fromn screening to structure-based design of antitumoral agents<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Nmr in drug discovery. fromn screening to structure-based design of antitumoral agents <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Ricard-aleix Rodr\u00edguez Mias <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Barcelona<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 05\/10\/2006<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n<h3>Direcci\u00f3n y tribunal<\/h3>\n<ul>\n<li><strong>Director de la tesis<\/strong>\n<ul>\n<li>Ernest Giralt Lledo<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: fernando Albericio palomera <\/li>\n<li>margarida Gair\u00ed tahull (vocal)<\/li>\n<li>Jes\u00fas Jim\u00e9nez-barbero (vocal)<\/li>\n<li>xavier Salvatella giralt (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Ricard-aleix Rodr\u00edguez Mias La resonancia magn\u00e9tica nuclear se utiliza en la actualidad en pr\u00e1cticamente todas las etapas [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"site-sidebar-layout":"default","site-content-layout":"","ast-site-content-layout":"","site-content-style":"default","site-sidebar-style":"default","ast-global-header-display":"","ast-banner-title-visibility":"","ast-main-header-display":"","ast-hfb-above-header-display":"","ast-hfb-below-header-display":"","ast-hfb-mobile-header-display":"","site-post-title":"","ast-breadcrumbs-content":"","ast-featured-img":"","footer-sml-layout":"","theme-transparent-header-meta":"","adv-header-id-meta":"","stick-header-meta":"","header-above-stick-meta":"","header-main-stick-meta":"","header-below-stick-meta":"","astra-migrate-meta-layouts":"default","ast-page-background-enabled":"default","ast-page-background-meta":{"desktop":{"background-color":"var(--ast-global-color-4)","background-image":"","background-repeat":"repeat","background-position":"center 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