As part of the Wellcome Leap Q4Bio Challenge, Algorithmiq is currently establishing an end-to-end quantum-centric drug discovery pipeline for light-activated anti-cancer drugs

 

 

Key Takeaways:

• Quantum computing enables precise estimates of molecular activation energies in photoactivated anti-cancer drugs.
• 100x improvement in precision over previous benchmarks.
• Real-world application in photodynamic cancer therapy design.
• Demonstration of scalable, hybrid quantum-classical workflows.

 

 

How does photodynamic therapy for cancer treatment work?

Photodynamic therapy (PDT) relies on special molecules called photosensitizers that are activated by light to produce a therapeutic effect, and designing these molecules is tricky, just as characterizing their activation pathway is of paramount importance.

 

 

The benefits of photodynamic therapy for cancer are…

• In principle, there are no long-term side effects.
• It is less invasive than surgery.
• It is most often performed as an outpatient procedure, so long-term hospitalization is not required.
• It can be targeted very precisely in space.
• It can be repeated many times at the same site if needed, unlike radiation.
• There is usually little or no scarring after the site has healed.
• It is up to 5-10 times less costly than other cancer treatments
• It elicits immunogenic cell death.

 

The key lies in understanding the energy gaps between electronic states of the molecule, small differences that dictate how a photosensitizer behaves when exposed to light. Classical quantum chemistry algorithms quickly run out of steam to calculate these energy gaps at scale with the accuracy needed to design effective photosensitizers. That’s where quantum computing and unique quantum algorithms enter the picture.

Using the IQM Emerald quantum processing unit and Algorithmiq’s optimized readout strategy (DQI), including advanced proprietary error mitigation techniques, the team achieved a 100x improvement in precision compared to results obtained on a QPU from another leading superconducting quantum hardware provider.

 

 

What’s next for photodynamic therapy?

One base molecular moiety of interest is the BODIPY class, a family of compounds being explored as next-generation photosensitizers. With traditional methods, simulating their energy landscape is complex. But the combination of IQM’s hardware and Algorithmiq’s software stack made it possible to estimate these critical energy gaps with unprecedented accuracy.

Effectively simulating molecular behavior paves way for better-targeted therapies faster and more cost-effectively. This work brings humanity closer to a future where quantum-enhanced simulations accelerate the discovery and development of life-saving treatments. By merging cutting-edge quantum hardware with an optimized readout, IQM’s 54-qubit quantum computer, together with Algorithmiq’s innovative software, are charting a new path in cancer research and treatment innovation. If you’d like to learn more about Algorithmiq’s research on this topic, check out more details on their demonstration.