Harnessing AI to Accelerate Breakthroughs in Metal-Based Antibiotic Discovery

Atinary and Dr. Angelo Frei’s lab at the University of York secure funding to revolutionize metalloantibiotic discovery, leveraging AI and high-throughput screening to combat antimicrobial resistance.

Posted
June 5, 2025
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Edlyn W
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MENLO PARK, California, and LAUSANNE, Switzerland – June 5, 2025 – Atinary Technologies is thrilled to announce the approval of an Alchemy fund, in collaboration with the lab of Dr. Angelo Frei, at the University of York, UK, for their project on AI-driven discovery of metal-based antibiotics (metalloantibiotics). AIchemy is a UK-based initiative supported by the Engineering and Physical Sciences Research Council. The hub is dedicated to transforming the intersection of chemistry and AI. This grant fosters collaboration between academia and industry, partnering Atinary’s AI expertise with the Frei lab’s strengths in metalloantibiotics. Together, they will accelerate the discovery of novel metal-based antimicrobials to combat the global antimicrobial resistance (AMR) crisis.

Revolutionizing Antibiotic Discovery with AI

The project aims to advance antibiotic development by exploring metalloantibiotics, an underutilized yet promising class of compounds. While metal complexes like cisplatin have long been used in medicine, their potential in antibiotic discovery remains largely untapped. Metalloantibiotics offer distinct advantages, including diverse modes of action and structural complexity, making them compelling candidates for combating resistant bacterial strains. However, their vast chemical space poses a challenge for traditional discovery methods.

By integrating automated high-throughput experimentation with Atinary’s no-code AI platform, SDLabs, this collaboration aims to rapidly screen billions of potential compounds and refine them to a set of 10 lead candidates with maximum antibacterial activity and minimal toxicity. This approach will significantly accelerate the identification and optimization of new antibiotics, offering a powerful tool in the fight against AMR.

“Globally, 4.95 million deaths per year are associated with antimicrobial resistance,” said Dr. Angelo Frei, Lecturer and Assistant Professor in Inorganic Chemistry at the University of York. “This innovative strategy will expand our ability to explore chemical space efficiently, identifying metal complexes with potent antibacterial properties, minimal off-target effects, and reduced cross-resistance.”

Dr. Loïc Roch, Co-Founder and CTO of Atinary Technologies, added, “We are excited to embark on this groundbreaking project. Not only are we advancing AI-driven research in inorganic chemistry, but we are also demonstrating the transformative role of AI in metal-based drug discovery and its potential impact on global health.”

Headshot of Dr. Angelo Frei, Group Leader at University of York. He is quoted saying, "This innovative strategy will expand our ability to explore chemical space efficiently, identifying metal complexes with potent antibacterial properties, minimal off-target effects, and reduced cross-resistance.” Dr. Loïc Roch, Co-Founder and CTO of Atinary Technologies, added, “We are excited to embark on this groundbreaking project. Not only are we advancing AI-driven research in inorganic chemistry, but we are also demonstrating the transformative role of AI in metal-based drug discovery and its potential impact on global health.”

About the lab of Dr. Angelo Frei

Metals are considered by many as toxic to humans and therefore unsuitable to be used in medicine. The Frei Lab are working towards changing this perception by developing novel metal-based antimicrobials to fight the global antibiotic resistance crisis. The lab is located at the University of York, UK. Dr. Angelo Frei is a Lecturer / Assistant Professor in Inorganic Chemistry. For more information about the lab, visit https://www.thefreilab.com/

About Atinary Technologies

Atinary offers AI technology solutions that revolutionize science and R&D with the goal of accelerating the discovery of breakthrough molecules for a healthier and sustainable future for everyone. The sweet spot applications of Atinary’s no-code AI platform and self-driving labs™ technology are in formulation, catalysis, and synthesis. Our clients include pharma, biotech, chemicals, and climate tech leaders, among others. Atinary’s vision is to transform R&D for the good of society. For more information visit us at https://atinary.com/ and on Atinary’s Linkedin page.

For media inquiries, please contact:

Edlyn Wu, PhD

Marketing and Business Development

ewu@atinary.com