How cell enzymes called kinases change shape to control activity
Multiscale Modeling of Protein Kinase Structure, Catalysis and Allostery
['FUNDING_R01'] · UNIVERSITY OF TEXAS ARLINGTON · NIH-11298330
This work uses computer modeling, machine learning, and lab experiments to learn how protein kinases change shape and control cell signals, which could help people with cancers and metabolic disorders.
Quick facts
| Phase | ['FUNDING_R01'] |
|---|---|
| Study type | Nih_funding |
| Sex | All |
| Sponsor | UNIVERSITY OF TEXAS ARLINGTON (nih funded) |
| Locations | 1 site (ARLINGTON, UNITED STATES) |
| Trial ID | NIH-11298330 on ClinicalTrials.gov |
What this research studies
Researchers combine large-scale computer simulations with machine learning and targeted laboratory experiments to map the movements and regulatory switches of protein kinases such as AKT and AMP kinase. The team will connect small-scale chemical events at active sites to larger protein shape changes to show how dynamics tune enzyme activity. Experimental validation will be used alongside simulations to ensure the predicted mechanisms reflect real molecules. Findings aim to highlight precise regulatory sites that could guide development of better, more selective kinase-targeting therapies.
Who could benefit from this research
Good fit: People with cancers, insulin resistance/diabetes, or other conditions tied to abnormal kinase signaling could ultimately benefit from therapies informed by this research.
Not a fit: Patients whose conditions are unrelated to kinase signaling or do not involve these pathways are unlikely to see direct benefit from this specific work.
Why it matters
Potential benefit: If successful, this work could reveal new molecular targets and strategies for designing drugs that more precisely modulate kinase activity, potentially improving treatments for cancers, diabetes, and other kinase-linked diseases.
How similar studies have performed: Related computational and experimental studies have improved understanding of kinases, but this integrated multiscale simulation plus machine-learning approach to allostery is relatively novel.
Where this research is happening
ARLINGTON, UNITED STATES
- UNIVERSITY OF TEXAS ARLINGTON — ARLINGTON, UNITED STATES (ACTIVE)
Researchers
- Principal investigator: NAM, KWANGHO — UNIVERSITY OF TEXAS ARLINGTON
- Study coordinator: NAM, KWANGHO
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.