{"id":8436,"date":"2023-12-19T16:35:20","date_gmt":"2023-12-19T16:35:20","guid":{"rendered":"https:\/\/dailyai.com\/?p=8436"},"modified":"2023-12-19T16:35:20","modified_gmt":"2023-12-19T16:35:20","slug":"ai-designed-proteins-display-exceptional-binding-strengths","status":"publish","type":"post","link":"https:\/\/dailyai.com\/pt\/2023\/12\/ai-designed-proteins-display-exceptional-binding-strengths\/","title":{"rendered":"As prote\u00ednas concebidas por IA apresentam uma for\u00e7a de liga\u00e7\u00e3o excecional"},"content":{"rendered":"<p><strong>Cientistas da Faculdade de Medicina da Universidade de Washington utilizaram a IA para conceber novas mol\u00e9culas de prote\u00ednas de uma forma que abre possibilidades interessantes para a dete\u00e7\u00e3o e o tratamento de doen\u00e7as.<\/strong><\/p>\n<p>A efic\u00e1cia de um medicamento no tratamento de uma doen\u00e7a depende em grande medida da sua especificidade na liga\u00e7\u00e3o ao alvo causador da doen\u00e7a e da intensidade com que se liga ao alvo.<\/p>\n<p>A quantidade quase infinita de potenciais formas de prote\u00ednas torna a conce\u00e7\u00e3o de uma prote\u00edna com elevada afinidade (for\u00e7a de liga\u00e7\u00e3o) e elevada especificidade uma tarefa extremamente dif\u00edcil.<\/p>\n<p>Encontrar prote\u00ednas que se ligam fortemente a alvos pept\u00eddicos helicoidais como o glucagon, o neuropept\u00eddeo Y e a hormona paratiroide foi a tarefa dif\u00edcil que os investigadores esperavam que a IA pudesse ajudar. O seu artigo, <a href=\"https:\/\/www.nature.com\/articles\/s41586-023-06953-1\" target=\"_blank\" rel=\"noopener\">publicado na Nature<\/a>mostra o potencial da IA para revolucionar <a href=\"https:\/\/dailyai.com\/pt\/2023\/12\/astrazeneca-bets-247m-on-ai-company-developing-cancer-drug\/\">desenvolvimento de medicamentos<\/a>.<\/p>\n<p>Os investigadores come\u00e7aram por utilizar m\u00e9todos de alucina\u00e7\u00e3o de aprendizagem profunda com o AlphaFold2 e o RosettaFold. Estes programas avan\u00e7ados de IA t\u00eam sido uma grande ajuda na conce\u00e7\u00e3o de novas prote\u00ednas, mas utilizam muito poder de computa\u00e7\u00e3o.<\/p>\n<p>Num esfor\u00e7o para encontrar um m\u00e9todo de conce\u00e7\u00e3o de prote\u00ednas mais eficiente do ponto de vista computacional, os investigadores recorreram a uma abordagem semelhante \u00e0 que alimenta modelos de geradores de imagens de IA como o Stable Diffusion e o DALL-E.<\/p>\n<blockquote class=\"twitter-tweet\">\n<p dir=\"ltr\" lang=\"en\">O jornal de hoje <a href=\"https:\/\/twitter.com\/Nature?ref_src=twsrc%5Etfw\">@Natureza<\/a> descreve <a href=\"https:\/\/twitter.com\/UWproteindesign?ref_src=twsrc%5Etfw\">@UWproteindesign<\/a> Prote\u00edna gerada por IA com afinidade e especificidade de liga\u00e7\u00e3o excecionalmente elevadas. Esta biotecnologia tem implica\u00e7\u00f5es no desenvolvimento de medicamentos, na dete\u00e7\u00e3o de doen\u00e7as e na monitoriza\u00e7\u00e3o ambiental. <a href=\"https:\/\/t.co\/KhtGhiyf6I\">https:\/\/t.co\/KhtGhiyf6I<\/a><\/p>\n<p>- Sala de imprensa da UW Medicine (@uwmnewsroom) <a href=\"https:\/\/twitter.com\/uwmnewsroom\/status\/1736785659137016153?ref_src=twsrc%5Etfw\">18 de dezembro de 2023<\/a><\/p><\/blockquote>\n<p><script async src=\"https:\/\/platform.twitter.com\/widgets.js\" charset=\"utf-8\"><\/script><\/p>\n<h2>RFdifus\u00e3o<\/h2>\n<p>O RFdiffusion \u00e9 um modelo inovador de IA generativa que \u00e9 treinado com base em dados de estruturas proteicas conhecidas. Em seguida, o modelo refina e reorganiza iterativamente os \u00e1tomos em estruturas proteicas definidas.<\/p>\n<p>O RFdiffusion foi treinado para remover iterativamente o ru\u00eddo de nuvens de \u00e1tomos desconectados e depois reorganiz\u00e1-los em novas estruturas proteicas. Este modelo foi utilizado em conjunto com a ferramenta de software ProteinMPNN concebida pelo Baker Lab, parte do projeto <a href=\"https:\/\/www.ipd.uw.edu\/\" target=\"_blank\" rel=\"noopener\">Instituto de Conce\u00e7\u00e3o de Prote\u00ednas<\/a> na Universidade de Washington.<\/p>\n<p>O ProteinMPNN utiliza uma estrutura proteica como entrada e recorre a t\u00e9cnicas de aprendizagem profunda para identificar rapidamente novas sequ\u00eancias de amino\u00e1cidos suscept\u00edveis de se dobrarem em estruturas proteicas espec\u00edficas.<\/p>\n<h2>Resultados interessantes<\/h2>\n<p>As prote\u00ednas que os investigadores conceberam revelaram uma afinidade e especificidade excecionalmente elevadas para os p\u00e9ptidos que tinham como alvo. Isto significa que podem potencialmente ser utilizadas para criar f\u00e1rmacos que visem a causa de uma doen\u00e7a, em vez de se ligarem a alvos n\u00e3o pretendidos e potencialmente causarem efeitos secund\u00e1rios.<\/p>\n<p>A s\u00edntese de prote\u00ednas n\u00e3o \u00e9 nova, mas esta nova abordagem produziu prote\u00ednas que atingiram a maior for\u00e7a de intera\u00e7\u00e3o jamais registada entre uma biomol\u00e9cula concebida por um computador e o seu alvo.<\/p>\n<p>David Baker, professor de bioqu\u00edmica na UW Medicine e investigador do Howard Hughes Medical Institute, foi o principal autor do artigo de investiga\u00e7\u00e3o.<\/p>\n<p>Baker explicou o significado dos resultados dizendo: \"A capacidade de gerar novas prote\u00ednas com uma afinidade e especificidade de liga\u00e7\u00e3o t\u00e3o elevadas abre um mundo de possibilidades, desde novos tratamentos de doen\u00e7as a diagn\u00f3sticos avan\u00e7ados\".<\/p>\n<p>H\u00e1 muitas doen\u00e7as que s\u00e3o atualmente tratadas com anticorpos. No entanto, a produ\u00e7\u00e3o de anticorpos \u00e9 dispendiosa e n\u00e3o tem uma vida \u00fatil muito longa.<\/p>\n<p>Preetham Venkatesh, um dos investigadores principais, afirmou: \"H\u00e1 muitas doen\u00e7as que s\u00e3o dif\u00edceis de tratar atualmente, simplesmente porque \u00e9 muito dif\u00edcil detetar certas mol\u00e9culas no organismo. Como ferramentas de diagn\u00f3stico, as prote\u00ednas concebidas podem oferecer uma alternativa mais econ\u00f3mica aos anticorpos\".<\/p>\n<p>Os investigadores conseguiram validar os seus m\u00e9todos de conce\u00e7\u00e3o biol\u00f3gica atrav\u00e9s da realiza\u00e7\u00e3o de testes laboratoriais em colabora\u00e7\u00e3o com o Laborat\u00f3rio Joseph Rogers da Universidade de Copenhaga e o Laborat\u00f3rio Andrew Hoofnagle da UW Medicine.<\/p>\n<p>Esta investiga\u00e7\u00e3o \u00e9 um excelente exemplo de como a IA est\u00e1 a acelerar o desenvolvimento de novos tratamentos para doen\u00e7as. O artigo ainda n\u00e3o foi revisto por pares, mas os resultados iniciais s\u00e3o muito interessantes.<\/p>","protected":false},"excerpt":{"rendered":"<p>Cientistas da Faculdade de Medicina da Universidade de Washington utilizaram a IA para conceber novas mol\u00e9culas de prote\u00ednas de uma forma que abre possibilidades interessantes para a dete\u00e7\u00e3o e tratamento de doen\u00e7as. A efic\u00e1cia de um medicamento no tratamento de uma doen\u00e7a depende em grande medida da sua especificidade na liga\u00e7\u00e3o ao alvo causador da doen\u00e7a e da for\u00e7a com que se liga ao alvo. A quantidade quase infinita de potenciais formas de prote\u00ednas torna a conce\u00e7\u00e3o de uma prote\u00edna com elevada afinidade (for\u00e7a de liga\u00e7\u00e3o) e elevada especificidade uma tarefa extremamente dif\u00edcil. Encontrar prote\u00ednas que se liguem fortemente a alvos pept\u00eddicos helicoidais como o glucagon, o neuropept\u00eddeo Y e a paratiroide<\/p>","protected":false},"author":6,"featured_media":8468,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[84],"tags":[150,203,101],"class_list":["post-8436","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-industry","tag-ai-benefits","tag-biotech","tag-medtech"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.4 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>AI-designed proteins display exceptional binding strengths | DailyAI<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/dailyai.com\/pt\/2023\/12\/ai-designed-proteins-display-exceptional-binding-strengths\/\" \/>\n<meta property=\"og:locale\" content=\"pt_PT\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"AI-designed proteins display exceptional binding strengths | DailyAI\" \/>\n<meta property=\"og:description\" content=\"Scientists at the University of Washington School of Medicine used AI to design new protein molecules in a way that opens up exciting possibilities for the detection and treatment of diseases. The effectiveness of a drug in treating a disease depends largely on how specific it is in attaching to the disease-causing target, and how strongly it attaches to the target. The near-infinite amount of potential protein shapes makes designing a protein with both high affinity (binding strength) and high specificity an extremely difficult task. 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