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Steffi Lewis | Blog

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AI In A Good Light: Designing Antibiotics To Combat Superbugs

Steffi Lewis

CREATED BY STEFFI LEWIS

Published: 18/08/2025 @ 09:02AM
#MITresearch #generativeAI #antibioticcandidates #drugresistancesolutions #novelantibiotics

A research team at MIT has used generative AI to create novel, lab-made antibiotic candidates that suppress drug‑resistant superbugs in laboratory and animal studies. The models explored tens of millions of possibilities, designed molecules atom by atom, filtered out human-toxic drugs, and prioritised easily synthesizable options ...

AI designed antibiotics, Nature's foes repelled, Lifesaving cure found

AI designed antibiotics, Nature's foes repelled, Lifesaving cure found

Two early candidates emerged and worked in mice, but both require significant refinement before human trials. The team will aim to tweak their models to focus on better in‑body prediction, scalable manufacturing, and sustainable economics so that any new antibiotics can get to market quicker.

When AI designs antibiotics, the promise is precision!

The AI models targeted molecules for pathogens that have outsmarted decades of standard therapy. Recent work shows machine‑generated candidates suppressing drug‑resistant gonorrhoea and MRSA in labs and in mice - an encouraging, early signal amid a global superbug resistance crisis.

Why the fuss? Antimicrobial resistance keeps climbing while the antibiotic pipeline thins. Traditional discovery, which involves screening known chemical libraries, has struggled to deliver new drugs at a useful speed. Generative AI inverts the process: start with the pathogen, then create molecules that fit, rather than hoping existing ones happen to work.

Models were trained on chemical structures alongside measured effects on bacterial growth, learning how subtle atomic arrangements map to antimicrobial activity. In practice, AI designs antibiotics via two complementary strategies: assembling from fragment libraries (tiny pieces roughly eight to nineteen atoms) and 'de novo' design, where the algorithm proposes whole molecules from first principles.

Rigorous filters excluded close cousins of existing drugs, removed molecules behaving like surfactants rather than medicines, and flagged likely human toxicity before anything reached a bench.

With AI, sample size doesn't matter, but scale still does!

The system examined around 36 million virtual compounds, then researchers synthesised a prioritised shortlist. Two leads advanced: one aimed at Neisseria gonorrhoeae, another at methicillin‑resistant Staphylococcus aureus. Both showed activity in vitro and efficacy in murine models.

They are not trial‑ready by any means. Expect one to two years of optimisation before any clinical testing can begin. It's a long road to approval.

Manufacturing and translation remain the hard yards. Many virtual designs are complex to make at scale; in one set, only a small fraction of top designs could be synthesised. And lab potency does not guarantee patient benefit; predictive models must better capture what happens in the body.

However, with rigorous testing, smarter manufacturing, and policy that rewards conservation as well as innovation, AI-designed antibiotics could help reset the arms race with superbugs - and keep tomorrow's cures effective for longer.

I'm thrilled AI is doing things like this!

I recently blogged about how AI will have immediate effects on new drug research, and this is proof that it is doing it well. I'm even more thrilled that this news has made it to the mainstream media, as more people will finally see AI as a force for good.

From designing new medicines to diagnosing cancers that human doctors may have missed, AI is working hard in our medical community to make the lives of humanity decidedly better.

Long may the discoveries continue!

Love, light & logic ...

Steffi Lewis

STEFFI LEWIS
Independent UK SaaS Developer - Creator of YourPCM & sBlogIt!

Would you like to know more?

If anything I've written in my blog post resonates with you and you'd like to discover more of my thoughts about AI being used to design antibiotics, then do feel free to connect with me on Linkedin as I love to meet like-minded individuals with similar passions to my own.

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#MITresearch #generativeAI #antibioticcandidates #drugresistancesolutions #novelantibiotics

About Steffi Lewis ...

Steffi Lewis 

Based in the charming village of Hanslope in Buckinghamshire, UK, I bring over 30 years of experience in web development. From creating my first website for the Open University in 1993, through being part of the dot com boom, to my explorations in SaaS and AI over the last few years, my journey has been a rich tapestry of web projects, big and small, both funded and bootstrapped.

Originally developed during the pandemic, at the start of 2025, I released the next iteration of YourPCM, version 2, which is all about 'Easy Contact Management for Small Business Owners'. Is it a CRM? Yes, but I don't call it that because people glaze over at the mention of such things. CRMs are boring, difficult to get to grips with, and it's a nightmare to get help when you need it. 

YourPCM is none of those things! It's simple to use, well-supported, feature rich and beautiful, right out of the box. It's available on a simple monthly subscription with no long-term tie-in. Book a demo or grab your own 14-working-day free trial and discover why YourPCM is all about easy contact management for small business owners. 

My head is in the cloud, my heart belongs to the web, and my soul is filled with such beautiful code 💗

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