Computer-Aided Design of Bioactive Agents

Pharmacochemical Studies of Opioid Narcotics
(active through August 2004)
NIH-NIDA Jelveh Lameh
Molecular Modeling, Design, & Evaluation of BDZ Ligands
(completed in January 2003)
NIH-NIDA Timothy M. DeLorey

Treatment of various human physiological disorders remains a major challenge in the biomedical field. Numerous ailments lack effective therapies, while others with accepted therapies remain a challenge due to the side effects associated with the specific treatment. A major cornerstone of any therapeutic intervention is the use of pharmacological agents. Our goal is to design therapeutic strategies using drugs that exhibit a more precise effect while minimizing detrimental side effects. We approach this goal using a unique combination of experimental and computational methodologies.

We are currently applying this strategy to:

  1. Design of potential treatments for the age-related memory loss associated with senile dementia of the Alzheimer's type
  2. Design of opioid analgesics lacking the side effects of ventilatory depression and physical dependence liability
  3. Design of novel analgesics

To read about the interaction between drugs and
G Protein Coupled Receptors (GPCRs), click here.