{"id":46469,"date":"2024-04-17T14:02:48","date_gmt":"2024-04-17T13:02:48","guid":{"rendered":"https:\/\/www.innovationnewsnetwork.com\/?p=46469"},"modified":"2024-04-17T14:02:48","modified_gmt":"2024-04-17T13:02:48","slug":"machine-learning-speeds-up-drug-design-for-parkinsons-treatment","status":"publish","type":"post","link":"https:\/\/www.innovationnewsnetwork.com\/machine-learning-speeds-up-drug-design-for-parkinsons-treatment\/46469\/","title":{"rendered":"Machine learning speeds up drug design for Parkinson\u2019s treatment"},"content":{"rendered":"

Researchers have used machine learning techniques to massively accelerate the search for Parkinson\u2019s treatment.<\/h2>\n

Researchers from the University of Cambridge designed and used a machine learning-based strategy to identify compounds that block the clumping, or aggregation, of alpha-synuclein, the protein that characterises Parkinson\u2019s.<\/p>\n

The technique was used to quickly screen a chemical library containing millions of entries and identify five highly potent compounds for further investigation.<\/p>\n

The research, \u2018Discovery of potent inhibitors of \u03b1-synuclein aggregation using structure-based iterative learning<\/a>,\u2019 was published in Nature Chemical Biology<\/em>.<\/p>\n

Speeding up screening processes for developing Parkinson\u2019s<\/h3>\n

Parkinson\u2019s affects more than six million people worldwide, with that number projected to triple by 2040. However, no disease-modifying Parkinson\u2019s treatment is currently available.<\/p>\n

This has been a major obstacle in Parkinson\u2019s research because of the lack of methods to identify the correct molecular targets and engage with them.<\/p>\n

This technological gap has severely hampered the development of effective treatments.<\/p>\n

Screening large chemical libraries for drug candidates\u2014which needs to happen well before potential treatments can be tested on patients\u2014is enormously time-consuming, expensive, and often unsuccessful.<\/p>\n

\"parkinson's
\u00a9 shutterstock\/Nefedova Tanya<\/figcaption><\/figure>\n

Using machine learning, the researchers were able to speed up the initial screening process tenfold and reduce the cost by a thousand-fold, which could mean that potential Parkinson\u2019s treatments could reach patients much faster.<\/p>\n

\u201cOne route to searching for potential treatments Parkinson\u2019s treatment requires the identification of small molecules that can inhibit the aggregation of alpha-synuclein, a protein closely associated with the disease,\u201d said Professor Michele Vendruscolo from the Yusuf Hamied Department of Chemistry, who led the research.<\/p>\n

\u201cBut this is an extremely time-consuming process \u2013 just identifying a lead candidate for further testing can take months or even years.\u201d<\/p>\n

How the machine learning method was tested<\/h3>\n

The Cambridge team developed a machine learning method in which chemical libraries containing millions of compounds are screened to identify small molecules that bind to the amyloid aggregates and block their proliferation.<\/p>\n

A small number of top-ranking compounds were then tested experimentally to select the most potent inhibitors of aggregation.<\/p>\n

The information gained from these experimental assays was fed back into the machine learning model iteratively, and after a few iterations, highly potent compounds were identified.<\/p>\n

\u201cInstead of screening experimentally, we screen computationally,\u201d said Vendruscolo.<\/p>\n

\u201cUsing the knowledge we gained from the initial screening with our machine learning model, we were able to train the model to identify the specific regions on these small molecules responsible for binding. Then, we can re-screen and find more potent molecules for Parkinson\u2019s treatment.\u201d<\/p>\n

She added: \u201cMachine learning is having a real impact on the drug discovery process<\/a> \u2013 it\u2019s speeding up the whole process of identifying the most promising candidates.<\/p>\n

\u201cFor us, this means we can start work on multiple drug discovery programmes instead of just one.\u201d<\/p>\n","protected":false},"excerpt":{"rendered":"

Researchers have used machine learning techniques to massively accelerate the search for Parkinson\u2019s treatment. Find out more.<\/p>\n","protected":false},"author":22,"featured_media":46471,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_acf_changed":false,"_monsterinsights_skip_tracking":false,"_monsterinsights_sitenote_active":false,"_monsterinsights_sitenote_note":"","_monsterinsights_sitenote_category":0,"footnotes":""},"categories":[10551],"tags":[570,849],"acf":[],"yoast_head":"\nMachine learning speeds up drug design for Parkinson\u2019s treatment<\/title>\n<meta name=\"description\" content=\"Researchers have used machine learning techniques to massively accelerate the search for Parkinson\u2019s treatment. 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