Computer platform to design safer opioid pain medicines
Developing a computational platform for induced-fit and chemogenetic drug design
Using new computer methods to help design opioid medicines that relieve pain with fewer side effects for adults.
Quick facts
| Grant type | NIH-funded research |
|---|---|
| Study type | NIH-funded research |
| Funding institution | Vanderbilt University NIH-funded |
| Lab location | 1 site (Nashville, UNITED STATES) |
| Project ID | NIH-11310871 on NIH RePORTER |
What this research studies
This project is building a smarter computational tool that predicts how the µ-opioid receptor changes shape when drugs bind. The platform aims to guide the design of molecules that promote pain-relieving signaling while avoiding the pathways linked to respiratory depression, tolerance, and addiction. Researchers will combine advanced algorithms, structural biology data, and chemogenetic ideas to model large 'induced-fit' rearrangements that existing tools struggle to capture. Promising compounds predicted by the platform will be validated in laboratory models as a step toward future patient trials and new therapies.
Who could benefit from this research
Good fit: Adults with moderate to severe acute or chronic pain, or people affected by opioid use disorder, would be the intended beneficiaries and potential candidates for future trials guided by this work.
Not a fit: People without pain conditions or those whose pain is effectively managed with non-opioid treatments are unlikely to see direct benefits from this computational work in the near term.
Why it matters
Potential benefit: Could lead to opioid pain medicines that relieve pain with a lower risk of breathing problems, tolerance, and addiction.
How similar studies have performed: Related computer-aided drug design methods have produced new drug leads, but accurately modeling large induced-fit receptor changes and designing chemogenetic-selective opioid agonists is largely novel and not yet proven in patients.
Where this research is happening
Nashville, UNITED STATES
- Vanderbilt University — Nashville, United States (Active)
Researchers
- Principal investigator: Brown, Benjamin Patrick — Vanderbilt University
- Study coordinator: Brown, Benjamin Patrick
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 below.