Creating a new method to predict how drugs interact with proteins
Official title: Development of a new computational method for predicting drug - target interactions using a TSR-based representation of 3-D structures
Funded at University of Louisiana at Lafayette · NIH-10363369 · Data updated 2026-11-12
This study is exploring a new way to understand how drugs interact with proteins in the body by looking at the shapes of these proteins, which could help create better medicines for people.
Quick facts
| Grant type | R15 grant |
|---|---|
| Study type | NIH-funded research |
| Funding institution | University of Louisiana at Lafayette NIH-funded |
| Lab location | 1 site (Lafayette, United States) |
| Project start | September 15, 2021 |
| Project end | August 31, 2025 |
| Funding year | 2021 |
| Award (this year) | $420,456 |
| NIH project number | 1R15GM144944-01 |
| Project ID | NIH-10363369 on NIH RePORTER |
Who could benefit from this research
✓Could help
Ideal candidates for this research are individuals with conditions that require new or improved drug therapies, particularly those related to protein interactions.
✕Less likely to help
Patients with conditions that are not influenced by drug-target interactions or those who are not seeking new therapeutic options may not benefit from this research.
What this research studies
This research focuses on developing a novel computational method that uses a unique representation of protein 3-D structures to predict interactions between drugs and their target proteins. By utilizing a Triangular Spatial Relationship (TSR) approach, the researchers aim to convert complex structural data into meaningful insights that can enhance drug design and discovery. The methodology involves constructing triangles from specific atoms in proteins and assigning unique identifiers to these structures, which helps in classifying proteins based on their functions. This innovative approach could lead to better understanding and identification of drug targets, ultimately improving therapeutic outcomes.
Why it matters
Potential benefit: If successful, this research could lead to more effective drug designs and treatments for various diseases by improving the accuracy of drug-target interaction predictions.
How similar studies have gone: While there have been numerous studies on drug-target interactions, this TSR-based approach is relatively novel and aims to address limitations found in previous methodologies.
Where this research is happening
-
University of Louisiana at Lafayette
Lafayette, United States Active
Researchers
- Principal investigator: Xu, Wu — University of Louisiana at Lafayette
- Study coordinator: Xu, Wu
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.