Improving cancer treatment by predicting how drugs interact with multiple targets
Official title: Free energy-based active learning for ligand off-target and multitarget activity
Funded at Carnegie-Mellon University · NIH-11071480 · Data updated 2026-11-12
This study is working on new ways to predict how cancer-fighting drugs called kinase inhibitors interact with different parts of the body, helping to find out early if they might have unwanted side effects, so we can create safer and more effective treatments for cancer.
Quick facts
| Grant type | Fellowship grant |
|---|---|
| Study type | NIH-funded research |
| Funding institution | Carnegie-Mellon University NIH-funded |
| Lab location | 1 site (Pittsburgh, United States) |
| Project start | May 16, 2025 |
| Project end | May 15, 2028 |
| Funding year | 2025 |
| Award (this year) | $48,974 |
| NIH project number | 1F31CA290946-01A1 |
| Project ID | NIH-11071480 on NIH RePORTER |
Who could benefit from this research
✓Could help
Ideal candidates for this research are patients with cancers that are currently treated with small molecule kinase inhibitors.
✕Less likely to help
Patients who are not undergoing treatment with kinase inhibitors or those with cancers not targeted by these therapies may not benefit from this research.
What this research studies
This research focuses on developing advanced computational methods to predict how small molecule kinase inhibitors, which are used in cancer treatment, interact with various targets in the body. By using innovative techniques that reduce the cost and time of simulations, the project aims to identify both beneficial and harmful off-target activities of these drugs early in the drug discovery process. This could lead to safer and more effective cancer therapies by optimizing drug design based on their interactions with multiple proteins.
Why it matters
Potential benefit: If successful, this research could lead to the development of more effective and less toxic cancer treatments.
How similar studies have gone: Other research has shown promise in using computational methods for drug discovery, indicating that this approach could be effective.
Where this research is happening
-
Carnegie-Mellon University
Pittsburgh, United States Active
Researchers
- Principal investigator: Koby, Samuel Benjamin — Carnegie-Mellon University
- Study coordinator: Koby, Samuel Benjamin
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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.