Using computer chemistry to find medicines that target leukemia

Cheminformatics-based identification of leukemia-targeting molecules

NIH-funded research Rice University · NIH-11211315

Researchers are using computer-based chemistry and lab tests to discover new molecules that can kill acute myeloid leukemia (AML) cells, aiming to help people with AML—especially older adults who cannot tolerate harsh chemotherapy.

Quick facts

Grant typeR21 grant
Study typeNIH-funded research
Funding institutionRice University NIH-funded
Lab location1 site (Houston, United States)
Project IDNIH-11211315 on NIH RePORTER

What this research studies

You would hear that the team is combining computer-driven screening of chemical libraries with laboratory experiments to identify compounds that hit weaknesses in leukemia cell mitochondria. They focus on molecules that make AML cells trigger self-destruction while sparing healthy blood cells. The researchers also test combinations with existing anti-cancer drugs to look for strong synergy that could increase effectiveness. These steps aim to produce candidate drugs that could move into patient trials in the future.

Who could benefit from this research

Good fit: People with acute myeloid leukemia, particularly older adults or patients who are unfit for standard intensive chemotherapy or have relapsed disease, would be the main candidates for future trials stemming from this work.

Not a fit: Patients without AML or whose leukemia does not rely on the mitochondrial vulnerabilities targeted by these compounds may not benefit from this approach.

Why it matters

Potential benefit: If successful, this work could lead to new drug candidates that better kill AML cells while causing fewer side effects for patients who cannot tolerate intense chemotherapy.

How similar studies have performed: Previous laboratory studies have shown that targeting mitochondrial function can selectively kill AML cells and synergize with other drugs, but clinical benefit in patients has not yet been established.

Where this research is happening

Houston, United States

Researchers

About this research

  1. This is an active NIH-funded research project — typically early-stage science, not a clinical trial accepting patient enrollment.
  2. Some NIH-funded labs run parallel clinical studies or seek volunteers for related work. To check, contact the principal investigator or institution listed above.
  3. For full project details, budget, and progress reports, visit the official NIH RePORTER page below.
Last reviewed 2026-06-15 by the Find a Trial editorial team. Information on this page is for educational purposes and is not medical advice. Always consult qualified healthcare professionals about clinical trial participation.