{"id":55641,"date":"2018-03-09T22:43:19","date_gmt":"2018-03-09T22:43:19","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/diseno-mediante-modelizacion-molecular-de-inhibidores-de-quinasas-dependientes-de-ciclina-cdk\/"},"modified":"2018-03-09T22:43:19","modified_gmt":"2018-03-09T22:43:19","slug":"diseno-mediante-modelizacion-molecular-de-inhibidores-de-quinasas-dependientes-de-ciclina-cdk","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/bioquimica-molecular\/diseno-mediante-modelizacion-molecular-de-inhibidores-de-quinasas-dependientes-de-ciclina-cdk\/","title":{"rendered":"Dise\u00f1o mediante modelizaci\u00f3n molecular de inhibidores de quinasas dependientes de ciclina (cdk)"},"content":{"rendered":"<h2>Tesis doctoral de <strong> \u00f3scar Villaca\u00f1as P\u00e9rez <\/strong><\/h2>\n<p>La inhibici\u00f3n del ciclo celular se plantea como estrategia terap\u00e9utica en el tratamiento de enfermedades caracterizadas por una hiperproliferaci\u00f3n celular, como es el caso del c\u00e1ncer. La modelizaci\u00f3n molecular (incluyendo mec\u00e1nica molecular, din\u00e1mica molecular, c\u00e1lculos de energ\u00eda libre de uni\u00f3n, formulaci\u00f3n de farmac\u00f3foros, b\u00fasqueda de compuestos en bases de datos tridimensionales, herramientas q3pr..) Ha sido utilizada para tal fin.     en la primera parte del trabajo se buscan peque\u00f1as mol\u00e9culas mim\u00e9ticas del inhibidor de tumores natural p16ink4a (p16). La prote\u00edna p16 detiene el ciclo celular a principios de la fase g1 inhibiendo las prote\u00ednas quinasas dela familia de las cdk siguientes. Cdk4 y cdl6. Alteraciones en la expresi\u00f3n de p16 existen un gran n\u00famero de tipos de c\u00e1ncer, por lo que el restablecimiento de su funci\u00f3n se ha planteado en este estudio como estrategia en tratamientos contra el c\u00e1ncer. Se han formulado farmac\u00f3foros que definen las caracter\u00edsticas geom\u00e9tricos de inhibidores de cdl4 y cdk6 a partir de la informaci\u00f3n extra\u00edda de simulaciones din\u00e1micas llevadas a cabo en los complejos naturales cdl6-p16, cdk4-p16. Cdk4-p\u00e9ptido y cdk6-p\u00e9ptido. El p\u00e9ptido, sint\u00e9tico de 20 amino\u00e1cidos, es mim\u00e9tico de p16. La estructura delos complejos con el p\u00e9ptido se ha modelado mediante homolog\u00eda de secuencia y din\u00e1mica molecular. La estructura final del p\u00e9ptido se ha validado mediante c\u00e1lculos de la variaci\u00f3n de energ\u00eda libre de uni\u00f3n en un barrido mutacional de alanina sobre el p\u00e9ptido. Uno de los farmac\u00f3foros formulamos fue utilizado para encontrar mol\u00e9culas en la base de datos available chemical database, que se seleccionaron para comparar 10 compuestos. El 40% de los compuestos comprados resultaron tener una actividad ic50 menor a 100 mcm, frente a la actividad quinasa de ck6, eran activos frente a cdk4, inactivos frente a cdk1 y cdk2 y se unen en la misma regi\u00f3n de uni\u00f3n que p16 en cdk6. Se realizaron anclajes<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Dise\u00f1o mediante modelizaci\u00f3n molecular de inhibidores de quinasas dependientes de ciclina (cdk)<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Dise\u00f1o mediante modelizaci\u00f3n molecular de inhibidores de quinasas dependientes de ciclina (cdk) <\/li>\n<li><strong>Autor:<\/strong>\u00a0 \u00f3scar Villaca\u00f1as P\u00e9rez <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Barcelona<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 24\/11\/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>Jaime Rubio Martinez<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: Juan  Jes\u00fas Perez gonzalez <\/li>\n<li>Francisco Javier Luque garriga (vocal)<\/li>\n<li>Marta Cascante serratosa (vocal)<\/li>\n<li>a. Laughton charles (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de \u00f3scar Villaca\u00f1as P\u00e9rez La inhibici\u00f3n del ciclo celular se plantea como estrategia terap\u00e9utica en 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 center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"tablet":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"mobile":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""}},"ast-content-background-meta":{"desktop":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"tablet":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"mobile":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""}},"footnotes":""},"categories":[951,115,3178,560],"tags":[122929,39694,27451,15620,33754,122928],"class_list":["post-55641","post","type-post","status-publish","format-standard","hentry","category-barcelona","category-bioquimica-molecular","category-proteinas","category-quimica-fisica","tag-a-laughton-charles","tag-francisco-javier-luque-garriga","tag-jaime-rubio-Martinez","tag-juan-jesus-perez-gonzalez","tag-marta-cascante-serratosa","tag-oscar-villacanas-perez"],"_links":{"self":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/55641","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/comments?post=55641"}],"version-history":[{"count":0,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/55641\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/media?parent=55641"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/categories?post=55641"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/tags?post=55641"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}