Rational drug design for protein-protein interactions using physics-based models
Official title: Enabling Rational Design of Drug Targeting Protein-Protein Interactions with Physics-based Computational Modeling
Funded at Rochester Institute of Technology · NIH-11385437 · Data updated 2026-11-12
A scientist team is using physics-based computer modeling to design drugs that disrupt protein interactions, aiming to help treat cancer, genetic diseases, and infections.
Quick facts
| Grant type | NIH-funded research |
|---|---|
| Study type | NIH-funded research |
| Funding institution | Rochester Institute of Technology NIH-funded |
| Lab location | 1 site (Rochester, United States) |
| Project start | August 15, 2023 |
| Project end | July 31, 2027 |
| Funding year | 2026 |
| Award (this year) | $185,000 |
| NIH project number | 5R16GM150512-04 |
| Project ID | NIH-11385437 on NIH RePORTER |
Who could benefit from this research
✓Could help
Ideal candidates are patients whose cancers or genetic diseases involve protein interaction networks that could be modulated by new PPI-targeting drugs.
✕Less likely to help
Patients without cancers or genetic diseases linked to PPIs or without access to future trials may not directly benefit.
What this research studies
This project focuses on creating computational tools that predict how strongly two proteins stick together and how mutations or drugs change those interactions. It relies on physics-based methods like molecular dynamics rather than databases, to guide the design of new drugs that target PPIs. The work involves AI and machine learning techniques to process complex protein data, with a goal of enabling new therapies for cancer, genetic diseases, and infectious diseases. The effort is conducted at Rochester Institute of Technology, led by Emiliano Brini, and spans several years of computational development and validation.
Why it matters
Potential benefit: If successful, patients could benefit from new classes of drugs that target protein networks involved in cancer and infectious diseases.
How similar studies have gone: Previous PPI-targeting drug design efforts have shown promise, but this project emphasizes physics-based modeling to advance beyond data-dependent approaches.
Where this research is happening
-
Rochester Institute of Technology
Rochester, United States Active
Researchers
- Principal investigator: Brini, Emiliano — Rochester Institute of Technology
- Study coordinator: Brini, Emiliano
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About this research
- This is an active NIH-funded research project — typically early-stage science, not a clinical trial accepting patient enrollment.
- Some NIH-funded labs run parallel clinical studies or seek volunteers for related work. To check, contact the principal investigator or institution listed above.
- For full project details, budget, and progress reports, visit the official NIH RePORTER page.