{"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\/sv\/2023\/06\/researchers-build-breakthrough-ai-model-for-drug-discovery\/","title":{"rendered":"Forskare bygger banbrytande AI-modell f\u00f6r l\u00e4kemedelsuppt\u00e4ckt"},"content":{"rendered":"<p><strong>I en <a href=\"https:\/\/news.mit.edu\/2023\/new-model-offers-speedy-drug-discovery-0608\">banbrytande studie<\/a>Forskare fr\u00e5n MIT och Tufts University har utvecklat en maskininl\u00e4rningsmetod (ML) f\u00f6r att p\u00e5skynda processen f\u00f6r l\u00e4kemedelsuppt\u00e4ckt.<\/strong><\/p>\n<p>Det finns enorma l\u00e4kemedelsbibliotek som inneh\u00e5ller miljarder olika substanser som effektivt kan behandla allt fr\u00e5n cancer till hj\u00e4rtsjukdomar. Fr\u00e5gan \u00e4r bara hur vi hittar dem?<\/p>\n<p>L\u00e4kemedelsutveckling har traditionellt varit en arbetsintensiv process, d\u00e4r forskarna m\u00e5ste testa varje potentiell substans mot alla m\u00f6jliga m\u00e5l - en tidskr\u00e4vande och kostsam uppgift.<\/p>\n<p>F\u00f6r att l\u00f6sa detta problem har forskare b\u00f6rjat anv\u00e4nda ber\u00e4kningsmetoder f\u00f6r att screena bibliotek med l\u00e4kemedelssubstanser. Denna metod \u00e4r dock fortfarande tidskr\u00e4vande eftersom den inneb\u00e4r att man m\u00e5ste ber\u00e4kna varje m\u00e5lproteins tredimensionella struktur utifr\u00e5n dess aminosyresekvens.<\/p>\n<p>Teamet vid MIT och Tufts har dock tagit fram ett nytt tillv\u00e4gag\u00e5ngss\u00e4tt baserat p\u00e5 en stor spr\u00e5kmodell (LLM), vilket \u00e4r den typ av modell som driver AI som ChatGPT. Modellen analyserar stora m\u00e4ngder data f\u00f6r att avg\u00f6ra vilka aminosyror som sannolikt kommer att matcha varandra, p\u00e5 samma s\u00e4tt som spr\u00e5kmodeller som ChatGPT analyserar enorma textvolymer f\u00f6r att avg\u00f6ra vilka ord som passar ihop.<\/p>\n<p>Denna nya modell, <a href=\"https:\/\/www.pnas.org\/doi\/10.1073\/pnas.2220778120\">med namnet ConPLex<\/a>matchar m\u00e5lproteiner med potentiella l\u00e4kemedelsmolekyler utan att ber\u00e4kna molekylstrukturer. Modellen gjorde det m\u00f6jligt f\u00f6r forskarna att screena \u00f6ver 100 miljoner substanser p\u00e5 en dag.<\/p>\n<p>Bonnie Berger, Simons Professor of Mathematics och chef f\u00f6r Computation and Biology-gruppen vid MIT:s Computer Science and Artificial Intelligence Laboratory (CSAIL), s\u00e4ger: \"Det h\u00e4r arbetet tillgodoser behovet av effektiv och exakt in silico-screening av potentiella l\u00e4kemedelskandidater, och modellens skalbarhet m\u00f6jligg\u00f6r storskaliga screeningar f\u00f6r att bed\u00f6ma off-target-effekter, omplacering av l\u00e4kemedel och fastst\u00e4lla mutationers inverkan p\u00e5 l\u00e4kemedelsbindningen.\"<\/p>\n<h2>AI effektiviserar screening och utveckling av l\u00e4kemedel<\/h2>\n<p>Ett stort hinder p\u00e5 omr\u00e5det har varit att befintliga modeller har haft en tendens att misslyckas med att sortera bort \"lockbeten\". Dessa f\u00f6reningar liknar framg\u00e5ngsrika l\u00e4kemedel men interagerar inte bra med m\u00e5let. F\u00f6r att kunna utesluta \"bulvaner\" inf\u00f6rde teamet ett tr\u00e4ningssteg som hj\u00e4lpte modellen att skilja mellan riktiga l\u00e4kemedel och bulvaner.<\/p>\n<p>Forskarna testade ConPLex-modellen genom att screena ett bibliotek med cirka 4.700 l\u00e4kemedelskandidater mot en upps\u00e4ttning av 51 enzymer som kallas proteinkinaser.<\/p>\n<p>Efter att experimentellt ha testat 19 av de mest lovande l\u00e4kemedels-proteinparen fann de 12 med stark bindningsaffinitet med m\u00e5let.<\/p>\n<p>\u00c4ven om denna studie fr\u00e4mst fokuserade p\u00e5 sm\u00e5molekyl\u00e4ra l\u00e4kemedel, unders\u00f6ker teamet hur man kan till\u00e4mpa detta tillv\u00e4gag\u00e5ngss\u00e4tt p\u00e5 andra typer av l\u00e4kemedel, t.ex. terapeutiska antikroppar.<\/p>\n<p>Modellen kan ocks\u00e5 anv\u00e4ndas f\u00f6r att unders\u00f6ka toxiciteten hos potentiella l\u00e4kemedelssubstanser och s\u00e4kerst\u00e4lla att de inte ger upphov till o\u00f6nskade biverkningar innan de testas i djurmodeller.<\/p>\n<p>Rohit Singh, forskare vid CSAIL, s\u00e4ger: \"En del av anledningen till att l\u00e4kemedelsutveckling \u00e4r s\u00e5 dyr \u00e4r att den har en h\u00f6g andel misslyckanden. Om vi kan minska dessa misslyckanden genom att p\u00e5 f\u00f6rhand s\u00e4ga att det h\u00e4r l\u00e4kemedlet troligen inte kommer att fungera, skulle det kunna bidra till att s\u00e4nka kostnaderna f\u00f6r l\u00e4kemedelsutveckling.\"<\/p>\n<p>Eytan Ruppin, chef f\u00f6r Cancer Data Science Laboratory vid National Cancer Institute, hyllar metoden som ett \"betydande genombrott inom prediktion av interaktioner mellan l\u00e4kemedel och m\u00e5lgrupp\".<\/p>\n<p>I slutet av maj byggde ett annat forskarlag p\u00e5 MIT en modell f\u00f6r antibiotikascreening som fungerade p\u00e5 liknande s\u00e4tt som den h\u00e4r.<\/p>\n<p>Teamet anv\u00e4nde maskininl\u00e4rning f\u00f6r att utforska tusentals befintliga l\u00e4kemedel och hittade en s\u00e4rskild substans som var effektiv mot antibiotikaresistenta superbuggar.<\/p>\n<p><a href=\"https:\/\/dailyai.com\/sv\/2023\/05\/ai-helps-researchers-discover-a-new-antibiotic-for-treating-drug-resistant-bacteria\/\">L\u00e4s mer om detta h\u00e4r<\/a>.<\/p>","protected":false},"excerpt":{"rendered":"<p>I en banbrytande studie har forskare fr\u00e5n MIT och Tufts University utvecklat en metod f\u00f6r maskininl\u00e4rning (ML) f\u00f6r att p\u00e5skynda processen f\u00f6r l\u00e4kemedelsuppt\u00e4ckt. Det finns enorma l\u00e4kemedelsbibliotek som inneh\u00e5ller miljarder olika f\u00f6reningar som effektivt kan behandla allt fr\u00e5n cancer till hj\u00e4rtsjukdomar. Fr\u00e5gan \u00e4r hur vi hittar dem? L\u00e4kemedelsforskning har traditionellt varit en arbetsintensiv process, d\u00e4r forskarna m\u00e5ste testa varje potentiell substans mot alla m\u00f6jliga m\u00e5l - en tidskr\u00e4vande och kostsam uppgift. F\u00f6r att l\u00f6sa detta problem har forskare b\u00f6rjat anv\u00e4nda ber\u00e4kningsmetoder f\u00f6r att screena bibliotek med l\u00e4kemedelssubstanser. Detta tillv\u00e4gag\u00e5ngss\u00e4tt kr\u00e4ver dock fortfarande betydande tid eftersom det<\/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 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