{"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\/da\/2023\/06\/researchers-build-breakthrough-ai-model-for-drug-discovery\/","title":{"rendered":"Forskere bygger banebrydende AI-model til l\u00e6gemiddelopdagelse"},"content":{"rendered":"<p><strong>I en <a href=\"https:\/\/news.mit.edu\/2023\/new-model-offers-speedy-drug-discovery-0608\">Gennembrudsstudie<\/a>Forskere fra MIT og Tufts University har udviklet en maskinl\u00e6ringsmetode (ML) til at fremskynde processen med at opdage l\u00e6gemidler.<\/strong><\/p>\n<p>Der findes enorme l\u00e6gemiddelbiblioteker med milliarder af forskellige stoffer, som effektivt kan behandle alt fra kr\u00e6ft til hjertesygdomme. Sp\u00f8rgsm\u00e5let er, hvordan vi finder dem?<\/p>\n<p>Opdagelse af l\u00e6gemidler har traditionelt v\u00e6ret en arbejdskr\u00e6vende proces, hvor forskere skal teste hvert potentielt stof mod alle mulige m\u00e5l - en tidskr\u00e6vende og kostbar opgave.<\/p>\n<p>For at l\u00f8se dette problem er forskere begyndt at bruge beregningsmetoder til at screene biblioteker med l\u00e6gemiddelforbindelser. Denne tilgang kr\u00e6ver dog stadig meget tid, da den involverer beregning af hvert m\u00e5lproteins tredimensionelle struktur baseret p\u00e5 dets aminosyresekvens.<\/p>\n<p>Men teamet p\u00e5 MIT og Tufts har udt\u00e6nkt en ny tilgang baseret p\u00e5 en stor sprogmodel (LLM), som er den type model, der driver AI som ChatGPT. Modellen analyserer store m\u00e6ngder data for at afg\u00f8re, hvilke aminosyrer der sandsynligvis vil matche hinanden, p\u00e5 samme m\u00e5de som sprogmodeller som ChatGPT analyserer enorme m\u00e6ngder tekst for at afg\u00f8re, hvilke ord der passer sammen.<\/p>\n<p>Denne nye model, <a href=\"https:\/\/www.pnas.org\/doi\/10.1073\/pnas.2220778120\">ved navn ConPLex<\/a>Modellen matcher m\u00e5lproteiner med potentielle l\u00e6gemiddelmolekyler uden at beregne molekylestrukturer. Modellen gjorde det muligt for forskerne at screene over 100 millioner stoffer p\u00e5 en dag.<\/p>\n<p>Bonnie Berger, Simons Professor of Mathematics og leder af Computation and Biology-gruppen i MIT's Computer Science and Artificial Intelligence Laboratory (CSAIL), sagde: \"Dette arbejde im\u00f8dekommer behovet for effektiv og pr\u00e6cis in silico-screening af potentielle l\u00e6gemiddelkandidater, og modellens skalerbarhed muligg\u00f8r storskala-screening til vurdering af off-target-effekter, genanvendelse af l\u00e6gemidler og bestemmelse af mutationers indvirkning p\u00e5 l\u00e6gemiddelbinding.\"<\/p>\n<h2>AI effektiviserer screening og udvikling af l\u00e6gemidler<\/h2>\n<p>En vigtig forhindring p\u00e5 omr\u00e5det har v\u00e6ret de eksisterende modellers tendens til ikke at afvise \"lokkemidler\". Disse forbindelser ligner succesfulde l\u00e6gemidler, men interagerer ikke godt med m\u00e5let. For at udelukke lokkemidler indarbejdede teamet en tr\u00e6ningsfase, der hjalp modellen med at skelne mellem rigtige stoffer og bedragere.<\/p>\n<p>Forskerne testede ConPLex-modellen ved at screene et bibliotek med ca. 4.700 l\u00e6gemiddelkandidater mod et s\u00e6t af 51 enzymer, der er kendt som proteinkinaser.<\/p>\n<p>Efter at have testet 19 af de mest lovende l\u00e6gemiddel-protein-par eksperimentelt fandt de 12 med st\u00e6rk bindingsaffinitet til m\u00e5let.<\/p>\n<p>Denne unders\u00f8gelse fokuserede prim\u00e6rt p\u00e5 l\u00e6gemidler med sm\u00e5 molekyler, men teamet unders\u00f8ger, hvordan man kan anvende denne tilgang til andre typer l\u00e6gemidler, f.eks. terapeutiske antistoffer.<\/p>\n<p>Modellen kan ogs\u00e5 k\u00f8re toksicitetsscreeninger p\u00e5 potentielle l\u00e6gemiddelforbindelser og sikre, at de ikke giver u\u00f8nskede bivirkninger, f\u00f8r de testes i dyremodeller.<\/p>\n<p>Rohit Singh, forsker ved CSAIL, siger: \"En del af grunden til, at l\u00e6gemiddelforskning er s\u00e5 dyr, er, at der er en h\u00f8j fejlrate. Hvis vi kan reducere disse fejlprocenter ved p\u00e5 forh\u00e5nd at sige, at dette l\u00e6gemiddel sandsynligvis ikke vil virke, kan det i h\u00f8j grad v\u00e6re med til at s\u00e6nke omkostningerne ved l\u00e6gemiddelforskning.\"<\/p>\n<p>Eytan Ruppin, chef for Cancer Data Science Laboratory ved National Cancer Institute, roser tilgangen som et \"betydeligt gennembrud inden for forudsigelse af interaktioner mellem l\u00e6gemidler og m\u00e5lgrupper\".<\/p>\n<p>I slutningen af maj byggede et andet forskerhold, der involverede MIT, en antibiotikascreeningsmodel, der fungerede p\u00e5 samme m\u00e5de som denne.<\/p>\n<p>Teamet brugte maskinl\u00e6ring til at udforske tusindvis af eksisterende l\u00e6gemidler og fandt et bestemt stof, der var effektivt mod antibiotikaresistente superbakterier.<\/p>\n<p><a href=\"https:\/\/dailyai.com\/da\/2023\/05\/ai-helps-researchers-discover-a-new-antibiotic-for-treating-drug-resistant-bacteria\/\">L\u00e6s mere om det her<\/a>.<\/p>","protected":false},"excerpt":{"rendered":"<p>I en banebrydende unders\u00f8gelse har forskere fra MIT og Tufts University udviklet en maskinl\u00e6ringsmetode (ML) til at fremskynde processen med at opdage l\u00e6gemidler. Der findes enorme l\u00e6gemiddelbiblioteker med milliarder af forskellige forbindelser, som effektivt kan behandle alt fra kr\u00e6ft til hjertesygdomme. Sp\u00f8rgsm\u00e5let er, hvordan vi finder dem? Opdagelse af l\u00e6gemidler har traditionelt v\u00e6ret en arbejdskr\u00e6vende proces, hvor forskere skal teste hvert potentielt stof mod alle mulige m\u00e5l - en tidskr\u00e6vende og kostbar opgave. For at l\u00f8se dette problem er forskere begyndt at bruge beregningsmetoder til at screene biblioteker med l\u00e6gemiddelstoffer. Denne tilgang kr\u00e6ver dog stadig meget tid, da den<\/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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