{"id":110601,"date":"2018-03-11T10:36:41","date_gmt":"2018-03-11T10:36:41","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/estudios-teoricos-y-computacionales-de-la-enzima-glutamato-racemasa-enfoques-globales-y-atoma%c2%adsticos-que-explican-su-actividad-y-comportamiento\/"},"modified":"2018-03-11T10:36:41","modified_gmt":"2018-03-11T10:36:41","slug":"estudios-teoricos-y-computacionales-de-la-enzima-glutamato-racemasa-enfoques-globales-y-atoma%c2%adsticos-que-explican-su-actividad-y-comportamiento","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/quimica-fisica\/estudios-teoricos-y-computacionales-de-la-enzima-glutamato-racemasa-enfoques-globales-y-atoma%c2%adsticos-que-explican-su-actividad-y-comportamiento\/","title":{"rendered":"Estudios te\u00f3ricos y computacionales de la enzima glutamato racemasa: enfoques globales y atom\u00edsticos que explican su actividad y comportamiento"},"content":{"rendered":"<h2>Tesis doctoral de <strong> Edgar Mixcoha Hern\u00e1ndez <\/strong><\/h2>\n<p>Actualmente los estudios computacionales y te\u00f3ricos de los sistemas enzim\u00e1ticos nos permiten saber, entre otras cosas, de qu\u00e9 manera una enzima se comporta en un medio dado. De igual forma nos ayudan a entender y explicar su mecanismo de cat\u00e1lisis. Todo lo anterior, junto con otros estudios experimentales, nos puede dar suficiente informaci\u00f3n para el desarrollo de nuevos f\u00e1rmacos.  este trabajo de tesis fue enfocado a la estructura, comportamiento y cat\u00e1lisis de un potencial blanco farmacol\u00f3gico, la enzima glutamato racemasa de helocobacter pylori. Esta bacteria es causante de varias patolog\u00edas g\u00e1stricas, incluido el c\u00e1ncer de est\u00f3mago y actualmente representa un grave problema de salud p\u00fablica mundial.  las simulaciones de din\u00e1mica molecular demuestran que el sitio activo, dependiendo de la presencia o no del sustrato, forma una red de puentes de hidr\u00f3geno que permitir\u00e1 la identificaci\u00f3n del mismo por la enzima. Los resultados de pca de las simulaciones de din\u00e1mica molecular muestran que esta enzima presenta diferentes desplazamientos at\u00f3micos la enzima libre que cuando est\u00e1 complejada con su sustrato.  a partir de varias estructuras provenientes de una simulaci\u00f3n de din\u00e1mica molecular de esta enzima, se calcularon los perfiles de energ\u00eda potencial de todos los pasos catal\u00edticos de la racemizaci\u00f3n de d-glu a l-glu utilizando un potencial h\u00edbrido qm\/mm.  este trabajo es, hasta la fecha, el primer estudio computacional realizado con esta enzima.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Estudios te\u00f3ricos y computacionales de la enzima glutamato racemasa: enfoques globales y atom\u00edsticos que explican su actividad y comportamiento<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Estudios te\u00f3ricos y computacionales de la enzima glutamato racemasa: enfoques globales y atom\u00edsticos que explican su actividad y comportamiento <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Edgar Mixcoha Hern\u00e1ndez <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Aut\u00f3noma de barcelona<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 25\/07\/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>Angels Gonz\u00e1lez Lafont<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: jordi Vill\u00ed\u00a0 freixa <\/li>\n<li>angel Pi\u00f1eiro guillen (vocal)<\/li>\n<li>  (vocal)<\/li>\n<li>  (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Edgar Mixcoha Hern\u00e1ndez Actualmente los estudios computacionales y te\u00f3ricos de los sistemas enzim\u00e1ticos nos permiten saber, entre [&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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