{"id":109023,"date":"2011-10-06T00:00:00","date_gmt":"2011-10-06T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/construccion-qsar-de-redes-complejas-de-compuestos-de-interes-en-qua%c2%admica-farmaceutica-microbiologa%c2%ada-y-parasitologa%c2%ada\/"},"modified":"2011-10-06T00:00:00","modified_gmt":"2011-10-06T00:00:00","slug":"construccion-qsar-de-redes-complejas-de-compuestos-de-interes-en-qua%c2%admica-farmaceutica-microbiologa%c2%ada-y-parasitologa%c2%ada","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/santiago-de-compostela\/construccion-qsar-de-redes-complejas-de-compuestos-de-interes-en-qua%c2%admica-farmaceutica-microbiologa%c2%ada-y-parasitologa%c2%ada\/","title":{"rendered":"Construcci\u00f3n qsar de redes complejas de compuestos de inter\u00e9s en qu\u00edmica farmac\u00e9utica, microbiolog\u00eda y parasitolog\u00eda"},"content":{"rendered":"<h2>Tesis doctoral de <strong> Isela Garc\u00eda Pintos <\/strong><\/h2>\n<p>El dise\u00f1o para la b\u00fasqueda y desarrollo de f\u00e1rmacos eficaces para el tratamiento de estas enfermedades, que supriman la eliminaci\u00f3n o la degeneraci\u00f3n celular respectivamente, es una de las l\u00edneas de investigaci\u00f3n m\u00e1s importantes dentro de la qu\u00edmica farmac\u00e9utica. En esto entra el dise\u00f1o de f\u00e1rmacos; el dise\u00f1o de f\u00e1rmacos est\u00e1 dedicado al desarrollo de modelos matem\u00e1ticos para predecir propiedades de inter\u00e9s para una gran variedad de sistemas qu\u00edmicos incluyendo mol\u00e9culas de bajo peso molecular, pol\u00edmeros, biopol\u00edmeros, sistemas heterog\u00e9neos, formulaciones farmac\u00e9uticas, conglomerados de mol\u00e9culas e iones, materiales, nano-estructuras y otros. Este tipo de predicciones no pretenden sustituir las t\u00e9cnicas experimentales sino complementar las mismas ayudando a obtener nuevas mol\u00e9culas activas con mayor probabilidad de \u00e9xito, con la ventaja que ello supone en t\u00e9rminos de ahorro de tiempo, recursos materiales, y muy importante: el refinamiento y reducci\u00f3n en el uso de animales de laboratorio. Esta metodolog\u00eda se basa en el uso de c\u00e1lculos por ordenador y en las nuevas tecnolog\u00edas de la inform\u00e1tica. Las cuales pueden ser usadas: para mol\u00e9culas peque\u00f1as: a) estudios de relaci\u00f3n cuantitativa estructura molecular-actividad farmacol\u00f3gica (qsar) y de estructura molecular propiedades toxicol\u00f3gicas y eco-toxicol\u00f3gicas incluyendo mutagenicidad e carcinog\u00e9nesis (qstr). B) predicci\u00f3n de propiedades qu\u00edmicas y fisicoqu\u00edmicas de mol\u00e9culas. Estudios de relaci\u00f3n estructura molecular y propiedades de absorci\u00f3n, distribuci\u00f3n, metabolismo y eliminaci\u00f3n (adme). C) predicci\u00f3n de mecanismos de acci\u00f3n biol\u00f3gica de mol\u00e9culas y evaluaci\u00f3n in s\u00edlico de alta eficacia para grandes bases de datos (virtual hts). Para macromol\u00e9culas: a) estudios de interacci\u00f3n f\u00e1rmaco-receptor (neuronas). B) bioinform\u00e1tica aplicada a estudios de relaci\u00f3n secuencia-funci\u00f3n y propiedades estructurales de \u00e1cidos nucleicos y prote\u00ednas. C) b\u00fasqueda de nuevas dianas terap\u00e9uticas y sitio activo a partir de datos de gen\u00f3mica, prote\u00f3mica. D) b\u00fasqueda de biomarcadores para diagn\u00f3stico de enfermedades o como indicadores de contaminaciones. E) predicci\u00f3n de propiedades fisicoqu\u00edmicas de pol\u00edmeros sint\u00e9ticos, biopol\u00edmeros, materiales y nano-estructuras. F) predicci\u00f3n, dise\u00f1o, y optimizaci\u00f3n de enzimas mutadas para procesos biotecnol\u00f3gicos.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Construcci\u00f3n qsar de redes complejas de compuestos de inter\u00e9s en qu\u00edmica farmac\u00e9utica, microbiolog\u00eda y parasitolog\u00eda<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Construcci\u00f3n qsar de redes complejas de compuestos de inter\u00e9s en qu\u00edmica farmac\u00e9utica, microbiolog\u00eda y parasitolog\u00eda <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Isela Garc\u00eda Pintos <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Santiago de compostela<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 10\/06\/2011<\/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>Xerardo Xusto Garcia Mera<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: ricardo Mosquera castro <\/li>\n<li>Mar\u00eda natalia Dias soeiro cordeiro (vocal)<\/li>\n<li>cristian robert Munteanu (vocal)<\/li>\n<li>Juan  Manuel Ruso beiras (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Isela Garc\u00eda Pintos El dise\u00f1o para la b\u00fasqueda y desarrollo de f\u00e1rmacos eficaces para el tratamiento de [&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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