Recent publication unveils advances in precision drug delivery using synthetic virus-like particles

The Science and Technology Facilities Council’s (STFC) Hartree Centre, IBM Research and the National Physical Laboratory collaborated to advance drug delivery methods by leveraging synthetic virus-like particles.

3D visualisation of the synthetic virus-like particles.

Delivering drugs accurately within the human body remains one of the biggest challenges in modern medicine. While discovering the right drug is essential, ensuring that the drug reaches its intended target, without being broken down or causing unintended side effects, is equally important.

In an exciting new publication, Science and Technology Facilities Council (STFC) Hartree Centre, IBM Research and the National Physical Laboratory (NPL) are exploring a new frontier in drug delivery by leveraging the unique properties of viruses. Inspired by how viruses navigate the body and deliver genetic material with precision, NPL aimed to create synthetic virus-like particles to encapsulate drugs and guide them directly to their intended targets in the body. The key difference that sets this research apart from previous studies is the novel structure of these particles. Engineered as basic molecular building blocks, these particles pave the way for the creation of unique, sophisticated structures for drug encapsulation and delivery.

Why viruses?

Viruses have perfected targeted delivery in the body, which NPL wants to utilise. They can:

• navigate the body’s complex immune system defences
• precisely target cells with pinpoint accuracy
• deliver genetic material or other payloads directly to their destination

By exploiting this natural process through engineering novel synthetic particles, researchers could pinpoint drug delivery. This could result in fewer treatment side effects and improved drug efficacy, making treatments more effective at lower doses.

Advanced data analysis for complex biology

A key challenge in this research relates to the understanding of the particle assembly process which is difficult to obtain via available experimental techniques, due to the extremely small sizes of the complexes formed. To understand the potential of these particles, a high-resolution analysis of simulated molecular behaviour is required.

To support this effort, the Hartree Centre has developed a cutting-edge software platform that integrates:

• High-Performance Computing (HPC): Capable of running molecular dynamics simulations at the atomic level, the platform enables NPL to model the self-assembly of the synthetic virus-like particles with exceptional detail and speed.
• Automated data analysis: Advanced algorithms streamline the process of analysing structural data, identifying key insights quickly and accurately.

This solution allows NPL researchers to interpret the characteristics and behaviour of the synthetic virus-like particles more efficiently than ever before, reducing the time it takes to turn data into actionable insights.

Benefits of the collaboration

This project is not just about improving a single aspect of drug delivery, it represents a significant step forward in the field of precision medicine. The potential benefits are far-reaching:

• safer treatments: By targeting drugs more accurately, treatments could have fewer side effects, reducing the risk of drug toxicity caused by unintended interactions with healthy cells.
• faster insights: The combination of HPC and advanced analysis accelerates the discovery process, bringing us closer to new drug delivery methods that can be applied in real-world medical settings.
• resource efficiency: By streamlining data analysis, researchers can focus more on innovation and less on managing massive datasets.

A step towards the future of medicine

The Hartree Centre’s role in this project underscores the importance of digital innovation in the life sciences. Through the application of high-performance computing and data analysis tools, groundbreaking research like NPL’s virus-inspired drug delivery system is becoming a reality sooner than expected.

By overcoming the body’s complex defence mechanisms and precisely targeting where treatments are needed through these novel particles, this research could ultimately transform how we treat a wide range of diseases, from cancer to chronic illnesses, with greater efficiency and fewer side effects.