{"id":38277,"date":"2018-03-09T09:37:46","date_gmt":"2018-03-09T09:37:46","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/calculos-termodinamicos-estructurales-en-proteinas-prediccion-de-afinidades-de-union-y-diseno-molecular-de-ligandos-peptidicos\/"},"modified":"2018-03-09T09:37:46","modified_gmt":"2018-03-09T09:37:46","slug":"calculos-termodinamicos-estructurales-en-proteinas-prediccion-de-afinidades-de-union-y-diseno-molecular-de-ligandos-peptidicos","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/quimica\/calculos-termodinamicos-estructurales-en-proteinas-prediccion-de-afinidades-de-union-y-diseno-molecular-de-ligandos-peptidicos\/","title":{"rendered":"Calculos termodinamicos-estructurales en proteinas: prediccion de afinidades de union y dise\u00f1o molecular de ligandos peptidicos."},"content":{"rendered":"<h2>Tesis doctoral de <strong> Irene Luque Fernandez <\/strong><\/h2>\n<p>Esta tesis se centra en la aplicaci\u00f3n de metodolog\u00edas de c\u00e1lculo de magnitudes termodin\u00e1micas a partir de consideraciones estructurales al desarrollo de estrategias racionales de dise\u00f1o molecular de ligandos pept\u00eddicos.  con objeto de comprobar que la metodolog\u00eda de c\u00e1lculo es suficientemente sensible para ello se ha aplicado previamente al desarrollo de una escala termodin\u00e1mico-estructural de propensi\u00f3n helicoidal que se encuentra en excelente concordancia con otras escalas existentes en la literatura. Estos c\u00e1lculos nos han permitido asimismo llevar a cabo un an\u00e1lisis detallado de los factores determinantes de las diferencias en propensi\u00f3n helicoidal entre los distintos amino\u00e1cidos.  la metodolog\u00eda de dise\u00f1o se ha aplicado al desarrollo de inhibidores pept\u00eddicos para la proteasa asp\u00e1rtica endothiapepsina, habiendo sido posible obtener los inhibidores que presentan la afinidad de uni\u00f3n tanto por parte de los restos de la enzima como del inhibidor.  por \u00faltimo, se ha aplicado la metodolog\u00eda desarrollada al an\u00e1lisis de las bases moleculares de la resistencia a f\u00e1rmacos de la proteasa del virus v.I.H. De tipo 1. Para ello ha sido necesario llevar a cabo el an\u00e1lisis termodin\u00e1mico estructural del proceso de uni\u00f3n de inhibidores no pept\u00eddicos, pept\u00eddicos y sustratos y comparar sus correspondientes caracter\u00edsticas termodin\u00e1micas. Con respecto a los sustratos, ha sido necesario llevar a cabo un proceso previo de modelado de la estructura tridimensional de sus complejos con la enzima. Ha sido posible identificar ciertos rasgos diferenciales en la energ\u00e9tica de uni\u00f3n de los distintos tipos de ligandos por lo que se ha podido proponer una hip\u00f3tesis plausible del origen molecular de la resistencia a f\u00e1rmacos.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Calculos termodinamicos-estructurales en proteinas: prediccion de afinidades de union y dise\u00f1o molecular de ligandos peptidicos.<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Calculos termodinamicos-estructurales en proteinas: prediccion de afinidades de union y dise\u00f1o molecular de ligandos peptidicos. <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Irene Luque Fernandez <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Granada<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 17\/06\/1998<\/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>Obdulio L\u00f3pez Mayorga<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: pedro Luis Mateo alarcon <\/li>\n<li>hilario Ramirez rodrigo (vocal)<\/li>\n<li>Manuel Rico sarompas (vocal)<\/li>\n<li>Javier Sancho sanz (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Irene Luque Fernandez Esta tesis se centra en la aplicaci\u00f3n de metodolog\u00edas de c\u00e1lculo de magnitudes termodin\u00e1micas [&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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