{"id":1583,"date":"2023-06-10T10:12:51","date_gmt":"2023-06-10T10:12:51","guid":{"rendered":"https:\/\/dailyai.com\/?p=1583"},"modified":"2023-06-11T20:16:55","modified_gmt":"2023-06-11T20:16:55","slug":"researchers-build-breakthrough-ai-model-for-drug-discovery","status":"publish","type":"post","link":"https:\/\/dailyai.com\/es\/2023\/06\/researchers-build-breakthrough-ai-model-for-drug-discovery\/","title":{"rendered":"Investigadores crean un innovador modelo de IA para el descubrimiento de f\u00e1rmacos"},"content":{"rendered":"<p><strong>En un <a href=\"https:\/\/news.mit.edu\/2023\/new-model-offers-speedy-drug-discovery-0608\">estudio de vanguardia<\/a>Investigadores del MIT y la Universidad de Tufts han desarrollado un m\u00e9todo de aprendizaje autom\u00e1tico para acelerar el proceso de descubrimiento de f\u00e1rmacos.<\/strong><\/p>\n<p>Existen vastas bibliotecas de f\u00e1rmacos con miles de millones de compuestos diferentes que podr\u00edan tratar eficazmente desde el c\u00e1ncer hasta las enfermedades cardiacas. La cuesti\u00f3n es c\u00f3mo encontrarlos.<\/p>\n<p>El descubrimiento de f\u00e1rmacos ha sido tradicionalmente un proceso muy laborioso, en el que los cient\u00edficos ten\u00edan que probar cada compuesto potencial frente a todas las dianas posibles, lo que supon\u00eda un esfuerzo largo y costoso.<\/p>\n<p>Para resolver este problema, los investigadores han empezado a utilizar m\u00e9todos computacionales para analizar bibliotecas de compuestos farmacol\u00f3gicos. Sin embargo, este m\u00e9todo sigue requiriendo mucho tiempo, ya que implica calcular la estructura tridimensional de cada prote\u00edna diana a partir de su secuencia de amino\u00e1cidos.<\/p>\n<p>Sin embargo, el equipo del MIT y Tufts ha ideado un nuevo enfoque basado en un gran modelo de lenguaje (LLM), que es el tipo de modelo que impulsa IA como ChatGPT. El modelo analiza grandes cantidades de datos para determinar qu\u00e9 amino\u00e1cidos tienen m\u00e1s probabilidades de coincidir, de forma similar a c\u00f3mo los modelos ling\u00fc\u00edsticos como ChatGPT analizan enormes vol\u00famenes de texto para determinar qu\u00e9 palabras coinciden.<\/p>\n<p>Este novedoso modelo, <a href=\"https:\/\/www.pnas.org\/doi\/10.1073\/pnas.2220778120\">denominado ConPLex<\/a>El modelo de an\u00e1lisis de mol\u00e9culas de f\u00e1rmacos, que se basa en el an\u00e1lisis de prote\u00ednas, empareja las prote\u00ednas diana con posibles mol\u00e9culas de f\u00e1rmacos sin calcular las estructuras de las mol\u00e9culas. El modelo permiti\u00f3 a los investigadores examinar m\u00e1s de 100 millones de compuestos en un d\u00eda.<\/p>\n<p>Bonnie Berger, catedr\u00e1tica Simons de Matem\u00e1ticas y jefa del grupo de Computaci\u00f3n y Biolog\u00eda del Laboratorio de Ciencias de la Computaci\u00f3n e Inteligencia Artificial (CSAIL) del MIT, ha declarado: \"Este trabajo responde a la necesidad de un cribado in silico eficiente y preciso de posibles f\u00e1rmacos candidatos, y la escalabilidad del modelo permite realizar cribados a gran escala para evaluar los efectos fuera de diana, redise\u00f1ar f\u00e1rmacos y determinar el impacto de las mutaciones en la uni\u00f3n de f\u00e1rmacos\".<\/p>\n<h2>La IA agiliza la selecci\u00f3n y el desarrollo de f\u00e1rmacos<\/h2>\n<p>Un obst\u00e1culo clave en este campo ha sido la tendencia de los modelos existentes a no descartar los compuestos \"se\u00f1uelo\". Estos compuestos son similares a f\u00e1rmacos eficaces pero no interact\u00faan bien con la diana. Para descartar los se\u00f1uelos, el equipo incorpor\u00f3 una fase de entrenamiento que ayudaba al modelo a distinguir entre f\u00e1rmacos reales e impostores.<\/p>\n<p>Los investigadores probaron el modelo ConPLex examinando una biblioteca de unas 4.700 mol\u00e9culas candidatas a f\u00e1rmacos frente a un conjunto de 51 enzimas conocidas como prote\u00ednas quinasas.<\/p>\n<p>Tras probar experimentalmente 19 de las parejas f\u00e1rmaco-prote\u00edna m\u00e1s prometedoras, encontraron 12 con una fuerte afinidad de uni\u00f3n con la diana.<\/p>\n<p>Aunque este estudio se centr\u00f3 principalmente en f\u00e1rmacos de mol\u00e9culas peque\u00f1as, el equipo est\u00e1 estudiando c\u00f3mo aplicar este enfoque a otros tipos de medicamentos, como los anticuerpos terap\u00e9uticos.<\/p>\n<p>El modelo tambi\u00e9n podr\u00eda realizar pruebas de toxicidad de posibles f\u00e1rmacos para asegurarse de que no producen efectos secundarios no deseados antes de probarlos en modelos animales.<\/p>\n<p>Rohit Singh, investigador cient\u00edfico del CSAIL, afirma: \"Parte de la raz\u00f3n por la que el descubrimiento de f\u00e1rmacos es tan caro es porque tiene altas tasas de fracaso. Si podemos reducir esas tasas de fracaso diciendo por adelantado que no es probable que este f\u00e1rmaco funcione, eso podr\u00eda contribuir en gran medida a reducir el coste del descubrimiento de f\u00e1rmacos.\"<\/p>\n<p>Eytan Ruppin, jefe del Laboratorio de Ciencia de Datos sobre el C\u00e1ncer del Instituto Nacional del C\u00e1ncer, elogia el enfoque como un \"avance significativo en la predicci\u00f3n de la interacci\u00f3n f\u00e1rmaco-objetivo\".<\/p>\n<p>A finales de mayo, otro equipo de investigaci\u00f3n del MIT construy\u00f3 un modelo de detecci\u00f3n de antibi\u00f3ticos que funcionaba de forma similar a \u00e9ste.<\/p>\n<p>El equipo utiliz\u00f3 el aprendizaje autom\u00e1tico para explorar miles de f\u00e1rmacos existentes, localizando un compuesto concreto que era eficaz contra las superbacterias resistentes a los antibi\u00f3ticos.<\/p>\n<p><a href=\"https:\/\/dailyai.com\/es\/2023\/05\/ai-helps-researchers-discover-a-new-antibiotic-for-treating-drug-resistant-bacteria\/\">M\u00e1s informaci\u00f3n<\/a>.<\/p>","protected":false},"excerpt":{"rendered":"<p>En un estudio pionero, investigadores del MIT y la Universidad de Tufts han desarrollado un m\u00e9todo de aprendizaje autom\u00e1tico para acelerar el proceso de descubrimiento de f\u00e1rmacos. Existen vastas bibliotecas de f\u00e1rmacos con miles de millones de compuestos diferentes que podr\u00edan tratar eficazmente desde el c\u00e1ncer hasta las enfermedades cardiacas. La cuesti\u00f3n es c\u00f3mo encontrarlos. Tradicionalmente, el descubrimiento de f\u00e1rmacos ha sido un proceso muy laborioso, en el que los cient\u00edficos ten\u00edan que probar cada compuesto potencial frente a todas las dianas posibles, lo que supon\u00eda un esfuerzo largo y costoso. Para resolver este problema, los investigadores han empezado a utilizar m\u00e9todos computacionales para analizar bibliotecas de compuestos. Sin embargo, este m\u00e9todo sigue requiriendo mucho tiempo, ya que<\/p>","protected":false},"author":2,"featured_media":1584,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[84],"tags":[105,117,135],"class_list":["post-1583","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-industry","tag-machine-learning","tag-mit","tag-science"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.4 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>Researchers build breakthrough AI model for drug discovery | DailyAI<\/title>\n<meta name=\"description\" content=\"MIT and Tufts University researchers built an AI model that vastly accelerates the drug development process.\" \/>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" 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