AI-for-drug-design

Revolutionizing Drug Response Prediction: AI’s Role in Advancing Precision Medicine

January 31, 2024 Off By admin
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In a major breakthrough, an international team led by neuroscientist Dr. Kirill Martemyanov at The Herbert Wertheim UF Scripps Institute for Biomedical Innovation & Technology is paving the way for precision medicine by harnessing the power of artificial intelligence (AI) to predict drug responses with unprecedented accuracy.

Traditionally, identifying the right medicine for an individual has been challenging, as drug effectiveness varies from person to person. Dr. Martemyanov’s team utilized advanced molecular tracking technology to profile over 100 crucial cellular drug targets, including their genetic variations. The data obtained was then used to train an AI-anchored platform, resulting in an algorithm that predicted how cell surface receptors would respond to drug-like molecules with over 80% accuracy.

Published in the journal Cell Reports, the study emphasizes the potential of AI to revolutionize drug development and create true precision medications. The algorithm, named AMIE, was trained over a decade of experimentation, demonstrating its ability to understand the intricate responses of G protein-coupled receptors (GPCRs).

GPCRs, which constitute one-third of all drug targets, play a vital role in mediating responses to various medications, hormones, neurotransmitters, and even scents. Dr. Martemyanov’s team faced challenges in cataloging the diverse GPCRs and their responses, leading them to invent a novel protocol using bioluminescence resonance energy transfer technology.

The AI algorithm, designed by computational protein designer Dr. Bruno E. Correia, demonstrated exceptional predictive capabilities based on nuanced data, outperforming traditional methods. Dr. Martemyanov envisions the tool’s integration into drug development, ultimately contributing to the design of tailored prescriptions for patients.

“Our ultimate goal is to be able to predict how individual variants that people carry respond to drugs, allowing for the custom tailoring of prescriptions and paving the way for precision medicine,” said Dr. Martemyanov.

While the study marks a significant leap forward, the researchers stress the importance of further studies to evaluate biases and ensure fairness across diverse populations. The privacy of AI users and ethical considerations also remain key aspects for future exploration.

The results encourage a more sophisticated understanding of GPCRs, offering the potential for safer, quicker, and cost-effective drug development. As the team delves deeper into exploring genetic variations, the study sets the stage for a future where precision medicine becomes a reality, benefitting patients worldwide.

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