Developing a new method to prioritize small molecules for drug discovery
Rational prioritization algorithm for docking-based virtual screening of trillion-scale make-on-demand small molecule libraries
This study is working on a new way to quickly find the best potential medicines from a huge collection of small molecules, which could help develop better treatments for various health conditions.
Quick facts
| Grant type | Fellowship grant |
|---|---|
| Study type | NIH-funded research |
| Funding institution | University of California, San Francisco NIH-funded |
| Lab location | 1 site (San Francisco, United States) |
| Project ID | NIH-11079429 on NIH RePORTER |
What this research studies
This research focuses on creating a novel algorithm to efficiently prioritize small molecules from vast libraries for drug discovery. By using an iterative approach, the method docks a small random subset of molecules to identify promising candidates while exploring new chemical spaces. This could lead to more effective drug development processes, especially for conditions that require innovative treatments. The research aims to overcome current limitations in machine learning and docking methods, enhancing the accuracy and novelty of drug candidates.
Who could benefit from this research
Good fit: Ideal candidates for this research are individuals with conditions that currently lack effective treatments or require novel therapeutic approaches.
Not a fit: Patients with well-established treatment options may not benefit directly from this research.
Why it matters
Potential benefit: If successful, this research could lead to faster and more effective drug discovery, potentially resulting in new treatments for various diseases.
How similar studies have performed: Other research has shown promise in using prioritization algorithms for drug discovery, indicating that this approach could be a significant advancement in the field.
Where this research is happening
San Francisco, United States
- University of California, San Francisco — San Francisco, United States (Active)
Researchers
- Principal investigator: Mailhot, Olivier — University of California, San Francisco
- Study coordinator: Mailhot, Olivier
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.