{"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\/nl\/2023\/06\/researchers-build-breakthrough-ai-model-for-drug-discovery\/","title":{"rendered":"Onderzoekers bouwen baanbrekend AI-model voor het ontdekken van medicijnen"},"content":{"rendered":"<p><strong>In een <a href=\"https:\/\/news.mit.edu\/2023\/new-model-offers-speedy-drug-discovery-0608\">baanbrekend onderzoek<\/a>Onderzoekers van MIT en Tufts University hebben een machine learning (ML) methode ontwikkeld om het ontdekkingsproces van medicijnen te versnellen.<\/strong><\/p>\n<p>Er bestaan enorme medicijnbibliotheken met miljarden verschillende verbindingen die alles effectief zouden kunnen behandelen, van kanker tot hartaandoeningen. De vraag is, hoe vinden we ze?<\/p>\n<p>Het ontdekken van medicijnen is van oudsher een arbeidsintensief proces, waarbij wetenschappers elke mogelijke verbinding moeten testen op alle mogelijke doelwitten - een tijdrovende en kostbare onderneming.<\/p>\n<p>Om dit probleem op te lossen, zijn onderzoekers begonnen met het gebruik van computationele methoden om bibliotheken van geneesmiddelverbindingen te screenen. Deze aanpak vergt echter nog steeds veel tijd omdat de driedimensionale structuur van elk doeleiwit moet worden berekend op basis van de aminozuursequentie.<\/p>\n<p>Het team van MIT en Tufts heeft echter een nieuwe aanpak bedacht op basis van een groot taalmodel (LLM), het type model dat AI zoals ChatGPT ondersteunt. Het model analyseert enorme hoeveelheden gegevens om te bepalen welke aminozuren waarschijnlijk bij elkaar passen, net zoals taalmodellen zoals ChatGPT enorme hoeveelheden tekst analyseren om te bepalen welke woorden bij elkaar passen.<\/p>\n<p>Dit nieuwe model, <a href=\"https:\/\/www.pnas.org\/doi\/10.1073\/pnas.2220778120\">genaamd ConPLex<\/a>Het model kan doelwiteiwitten koppelen aan potenti\u00eble medicijnmoleculen zonder de structuur van de moleculen te berekenen. Het model stelde onderzoekers in staat om meer dan 100 miljoen verbindingen in een dag te screenen.<\/p>\n<p>Bonnie Berger, Simons Professor of Mathematics en hoofd van de Computation and Biology groep in MIT's Computer Science and Artificial Intelligence Laboratory (CSAIL), zei: \"Dit werk voorziet in de behoefte aan effici\u00ebnte en nauwkeurige in silico screening van potenti\u00eble kandidaat-geneesmiddelen, en de schaalbaarheid van het model maakt grootschalige schermen mogelijk voor het beoordelen van off-target effecten, het opnieuw aanpassen van geneesmiddelen en het bepalen van de invloed van mutaties op de binding van geneesmiddelen.\"<\/p>\n<h2>AI stroomlijnt screening en ontwikkeling van medicijnen<\/h2>\n<p>Een belangrijke hindernis op dit gebied is de neiging van bestaande modellen om 'lokstoffen' niet te verwijderen. Deze verbindingen lijken op succesvolle geneesmiddelen maar hebben geen goede interactie met het doelwit. Om lokstoffen uit te sluiten, voegde het team een trainingsfase toe die het model hielp onderscheid te maken tussen echte geneesmiddelen en bedriegers.<\/p>\n<p>De onderzoekers testten het ConPLex-model door een bibliotheek van ongeveer 4700 kandidaat-geneesmiddelen te screenen tegen een set van 51 enzymen die bekend staan als eiwitkinases.<\/p>\n<p>Na het experimenteel testen van 19 van de meest veelbelovende medicijn-eiwit paren, vonden ze er 12 met sterke bindingsaffiniteit met het doelwit.<\/p>\n<p>Hoewel dit onderzoek zich voornamelijk richtte op medicijnen met kleine moleculen, onderzoekt het team hoe deze benadering kan worden toegepast op andere soorten medicijnen, zoals therapeutische antilichamen.<\/p>\n<p>Het model zou ook toxiciteitstests kunnen uitvoeren op potenti\u00eble geneesmiddelen, om er zeker van te zijn dat ze geen ongewenste bijwerkingen hebben voordat ze in diermodellen worden getest.<\/p>\n<p>Rohit Singh, een CSAIL-onderzoekswetenschapper, stelt: \"Een deel van de reden waarom het ontdekken van medicijnen zo duur is, is omdat het een hoog mislukkingspercentage heeft. Als we deze mislukkingspercentages kunnen verlagen door van tevoren te zeggen dat dit medicijn waarschijnlijk niet zal werken, zou dat de kosten van het ontdekken van medicijnen een heel stuk kunnen verlagen.\"<\/p>\n<p>Eytan Ruppin, hoofd van het Cancer Data Science Laboratory van het National Cancer Institute, prijst de aanpak als een \"belangrijke doorbraak in de voorspelling van interacties tussen geneesmiddelen en doelwitten\".<\/p>\n<p>Eind mei bouwde een ander onderzoeksteam, waarbij MIT betrokken was, een model voor het screenen van antibiotica dat ongeveer hetzelfde werkt als dit model.<\/p>\n<p>Het team gebruikte machine learning om duizenden bestaande medicijnen te onderzoeken en vond \u00e9\u00e9n bepaalde verbinding die effectief was tegen antibiotica-resistente superbugs.<\/p>\n<p><a href=\"https:\/\/dailyai.com\/nl\/2023\/05\/ai-helps-researchers-discover-a-new-antibiotic-for-treating-drug-resistant-bacteria\/\">Lees daar hier meer over<\/a>.<\/p>","protected":false},"excerpt":{"rendered":"<p>In een baanbrekend onderzoek hebben onderzoekers van MIT en Tufts University een machine learning (ML) methode ontwikkeld om het ontdekkingsproces van medicijnen te versnellen. Er bestaan enorme bibliotheken van medicijnen die miljarden verschillende verbindingen bevatten die alles effectief zouden kunnen behandelen, van kanker tot hartaandoeningen. De vraag is: hoe vinden we ze? Het ontdekken van medicijnen is van oudsher een arbeidsintensief proces, waarbij wetenschappers elke potenti\u00eble verbinding moeten testen op alle mogelijke doelwitten - een tijdrovende en kostbare onderneming. Om dit probleem op te lossen, zijn onderzoekers begonnen met het gebruik van computationele methoden om bibliotheken van geneesmiddelverbindingen te screenen. Deze aanpak vergt echter nog steeds veel tijd omdat het<\/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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