{"id":1484,"date":"2025-06-12T11:33:15","date_gmt":"2025-06-12T09:33:15","guid":{"rendered":"https:\/\/aitenea.com\/?p=1484"},"modified":"2025-06-12T11:35:43","modified_gmt":"2025-06-12T09:35:43","slug":"artificial-intelligence-helps-design-a-new-molecule-with-therapeutic-potential-for-alzheimers-and-cancer","status":"publish","type":"post","link":"https:\/\/aitenea.com\/es\/artificial-intelligence-helps-design-a-new-molecule-with-therapeutic-potential-for-alzheimers-and-cancer\/","title":{"rendered":"Inteligencia artificial para dise\u00f1ar una nueva mol\u00e9cula con potencial terap\u00e9utico frente al alzh\u00e9imer y el c\u00e1ncer"},"content":{"rendered":"<p>En&nbsp;<strong>AItenea Biotech<\/strong>hemos participado, junto a varios centros del CSIC y la Universidad Pontificia Comillas, en el desarrollo de un innovador protocolo de dise\u00f1o molecular basado en inteligencia artificial. Esta tecnolog\u00eda nos ha permitido crear, desde cero, una nueva mol\u00e9cula con propiedades prometedoras para el tratamiento de enfermedades como el alzh\u00e9imer y ciertos tipos de c\u00e1ncer.<\/p>\n\n\n\n<h3 class=\"wp-block-heading\">\u00bfEl objetivo? Inhibir una prote\u00edna clave<\/h3>\n\n\n\n<p>La investigaci\u00f3n se ha centrado en la prote\u00edna&nbsp;<strong>DYRK1A<\/strong>, que est\u00e1 relacionada con patolog\u00edas como el alzh\u00e9imer, el s\u00edndrome de Down y algunos tipos de tumores. Inhibir su actividad podr\u00eda ayudar a frenar procesos como la acumulaci\u00f3n de prote\u00ednas tau hiperfosforiladas, un marcador t\u00edpico de la neurodegeneraci\u00f3n.<\/p>\n\n\n\n<p>Gracias a una combinaci\u00f3n de t\u00e9cnicas tradicionales y modelos avanzados de IA, hemos logrado dise\u00f1ar una mol\u00e9cula con una elevada capacidad de inhibici\u00f3n de esta prote\u00edna, adem\u00e1s de propiedades antioxidantes, antiinflamatorias y una excelente permeabilidad al cerebro, lo cual es fundamental para su potencial uso como tratamiento.<\/p>\n\n\n\n<h3 class=\"wp-block-heading\">Inteligencia artificial al servicio del dise\u00f1o de f\u00e1rmacos<\/h3>\n\n\n\n<p>La clave del avance reside en un modelo computacional generativo que permite crear miles de posibles mol\u00e9culas terap\u00e9uticas, incluso cuando se dispone de pocos datos experimentales. Este enfoque utiliza representaciones moleculares en forma de grafos y motivos estructurales complejos, lo que permite una predicci\u00f3n m\u00e1s precisa de su actividad biol\u00f3gica.<\/p>\n\n\n\n<p>Adem\u00e1s, incorporamos modelos&nbsp;<strong>QSAR<\/strong>&nbsp;potenciados por inteligencia artificial, que nos ayudan a predecir con mayor fiabilidad tanto la eficacia de las mol\u00e9culas como su toxicidad. Esto reduce considerablemente el tiempo necesario para identificar buenos candidatos, comparado con los m\u00e9todos tradicionales.<\/p>\n\n\n\n<h3 class=\"wp-block-heading\">Hacia una nueva generaci\u00f3n de tratamientos<\/h3>\n\n\n\n<p>Los compuestos m\u00e1s prometedores ya han sido sintetizados y validados mediante ensayos enzim\u00e1ticos y celulares. El siguiente paso ser\u00e1 optimizar estas mol\u00e9culas y evaluarlas en modelos precl\u00ednicos.<\/p>\n\n\n\n<p>En paralelo, seguimos perfeccionando nuestro enfoque, integrando directamente los modelos generativos con los predictivos, y explorando nuevas t\u00e9cnicas como el&nbsp;<strong>aprendizaje por refuerzo<\/strong>&nbsp;, que podr\u00eda afinar a\u00fan m\u00e1s el proceso de dise\u00f1o molecular.<\/p>\n\n\n\n<p>Este avance no solo abre nuevas v\u00edas para abordar enfermedades neurodegenerativas y oncol\u00f3gicas, sino que tambi\u00e9n sienta las bases para aplicar este protocolo en m\u00faltiples \u00e1reas terap\u00e9uticas. Un paso m\u00e1s hacia una medicina personalizada, m\u00e1s r\u00e1pida y eficaz, gracias al poder de la inteligencia artificial.<\/p>\n\n\n\n<div class=\"wp-block-group alignfull has-ast-global-color-5-color has-ast-global-color-8-background-color has-text-color has-background is-layout-flow wp-container-core-group-is-layout-1a3d6b99 wp-block-group-is-layout-flow\" style=\"padding-top:0;padding-bottom:0\">\n<div style=\"height:64px\" aria-hidden=\"true\" class=\"wp-block-spacer\"><\/div>\n\n\n\n<p class=\"has-text-align-center has-ast-global-color-0-color has-text-color has-link-color has-medium-font-size wp-elements-dc9ab4f156e244f19c837c6853766ca1\" style=\"line-height:.9\"><strong>\ud83d\udd2c \u00bfQuieres conocer todos los detalles del estudio?<\/strong><\/p>\n\n\n\n<h5 class=\"wp-block-heading has-text-align-center has-ast-global-color-5-color has-text-color has-link-color wp-elements-d3732ff3151488f6691e22e4fbc85c11\" id=\"schedule-a-visit\" style=\"font-size:20px;line-height:1.15\"><strong>ee el art\u00edculo completo publicado en&nbsp;<em>ACS Publications<\/em>:<br><strong>\u201cAI-Driven De Novo Design and Development of Nontoxic DYRK1A Inhibitors\u201d<\/strong><\/strong><\/h5>\n\n\n\n<div class=\"wp-block-buttons is-horizontal is-content-justification-center is-layout-flex wp-container-core-buttons-is-layout-03627597 wp-block-buttons-is-layout-flex\">\n<div class=\"wp-block-button has-custom-width wp-block-button__width-50\"><a class=\"wp-block-button__link has-text-color has-background wp-element-button\" href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jmedchem.5c00512\" style=\"border-radius:50px;color:#ffffff;background-color:#000000\" target=\"_blank\" rel=\"noreferrer noopener nofollow\">\ud83d\udc49 Accede al estudio aqu\u00ed<\/a><\/div>\n<\/div>\n\n\n\n<div style=\"height:64px\" aria-hidden=\"true\" class=\"wp-block-spacer\"><\/div>\n<\/div>","protected":false},"excerpt":{"rendered":"<p>At&nbsp;AItenea Biotech, in collaboration with several CSIC research centers and Comillas Pontifical University, we\u2019ve contributed to the development of an [&hellip;]<\/p>","protected":false},"author":1,"featured_media":1485,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"site-sidebar-layout":"default","site-content-layout":"","ast-site-content-layout":"default","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-opacity":"","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-opacity":"","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-opacity":"","overlay-gradient":""}},"ast-content-background-meta":{"desktop":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center 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