Q-ARMOR: Quantum-AI Assisted Rational design of Metallopeptide cOnjugates Against antimicrobial Resistance

Antimicrobial resistance (AMR) is one of the most pressing threats to global health, already responsible for an estimated 1.3 million deaths each year and projected to cause up to 10 million annual deaths and a cumulative economic loss of 100 trillion dollars by 2050. Despite decades of research, no new antibiotic class reached approval for nearly thirty years, and the drugs introduced in recent decades are essentially derivatives of older scaffolds. The discovery pipeline is slow, risky, and prohibitively expensive, often exceeding a billion dollars and a decade of development time. As resistance outpaces innovation, healthcare systems are left increasingly vulnerable.

Q-ARMOR addresses this challenge by introducing the first hybrid quantum–classical pipeline for antibiotic discovery, focused on the design of metal-conjugated antimicrobial peptides (AMP–M), a class of compounds with exceptional therapeutic potential that remains largely unexplored. The project combines accurate quantum electronic-structure modeling of resistant binding sites with generative chemistry and advanced delivery strategies. Specifically, quantum kernels embedded in QM/MM enable fidelity in describing metal coordination and resistant targets. In contrast, a novel style-based quantum generative adversarial network expands the discovery space for AMPs and AMP–M hybrids beyond the limits of classical AI. The pipeline integrates resistance-aware optimization criteria to balance potency, resilience, and synthesizability, and it extends discovery to translational readiness by coupling the molecules with ionic liquid and lipid-based carriers that improve stability, bioavailability, and safety.

The innovative character of Q-ARMOR lies in its end-to-end structure, which links molecular physics to drug discovery and finally to delivery systems. Unlike AI-only pipelines, this approach enhances quantum accuracy exactly where it matters, while simultaneously addressing the formulation gap that has prevented AMPs from entering the clinic. Patent analysis confirms clear space for intellectual property protection on quantum-enhanced generative models, resistance-aware discovery frameworks, and integrated carrier design. The potential impact is substantial. From a health perspective, Q-ARMOR could deliver new AMP–M drugs capable of overcoming resistance mechanisms that cripple today’s antibiotics. For the economy, it reduces development costs, accelerates discovery, and strengthens Switzerland’s pharmaceutical and biotech sector, which is already a global leader, thanks to companies such as Novartis and Basilea that have expressed interest in the project. At the societal level, the outcomes will reduce infection-related mortality and protect healthcare systems, directly contributing to Sustainable Development Goal 3 on health, and indirectly to goals on innovation and climate through more efficient computation and reduced experimental waste.

The implementation strategy follows a clear innovation roadmap. During the first two years, the project will move from concept (IRL 2) to proof of concept (IRL 3) by developing the generative quantum models and testing AMP–M activity against WHO-priority Gram-negative pathogens in vitro. In the following phase, laboratory validation (IRL 4) will be achieved with zebrafish in vivo models, stability improvements using ionic liquid and vesicle carriers, and initial patent filings. By the end of the funding period, the project will reach IRL 5 with an end-to-end validated discovery platform, a library of optimized AMP–M candidates, and a jointly defined preclinical roadmap in partnership with Basilea. The Q-ARMOR consortium brings together world-class expertise in quantum chemistry, molecular simulation, peptide synthesis, and in vivo models, combined with strong implementation partners such as QuantumBasel and Molecular Quantum Solutions, who provide hardware, algorithms, and business development. Academic partners will generate new IP and train interdisciplinary talent, while industry partners will integrate results into product pipelines and service offerings. By uniting quantum accuracy, AI innovation, and delivery science, Q-ARMOR sets out to create a transformative discovery pipeline that can finally break the bottleneck in antibiotic innovation.