DrugBAN AI could cut costs and accelerate drug discovery
New medicines could be delivered more quickly and at less cost with DrugBAN, an AI technology developed as part of a collaboration between Sheffield University and AstraZeneca.
The new technology, developed by Professor Haiping Lu and his PhD student Peizhen Bai from Sheffield’s Department of Computer Science, with Dr Filip Miljković and Dr Bino John from AstraZeneca, is described in a new study published in Nature Machine Intelligence.
The study demonstrates that DrugBAN can predict whether a candidate drug will interact with its intended target protein molecules inside the human body.
AI that can predict whether drugs will reach their intended targets already exists, but the technology developed by the researchers does this with greater accuracy and also provides insights to help scientists understand how drugs engage with their protein partners at a molecular level.
AI has the potential to inform whether a drug will successfully engage an intended cancer-related protein, or whether a candidate drug will bind to unintended targets in the body and lead to undesirable side effects for patients.
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