36th Annual Student Research Conference
Structure-Based Design of Serotonin 2A Receptor Agonists as a Novel Treatment for Depression
Sarah E. Holmes
Dr. Bill R. Miller, Faculty Mentor
Depression and anxiety are widespread disorders that have complex relationships with serotonin levels, where increasing the availability of serotonin in the synapse is a potential treatment. This project is investigating serotonin 2a (5HT2A) receptors that bind serotonin to transmit messages to the next neuron. This receptor has various non-hallucinogenic and hallucinogenic agonists (molecules that activate the receptor), including serotonin, LSD, and psilocybin.
Molecular dynamics simulations are currently in progress with a variety of hallucinogenic and non-hallucinogenic molecules bound to the 5HT2A receptor within a membrane. These molecules are being investigated to determine the structural effects on the receptor protein caused by hallucinogenic versus non-hallucinogenic agonists. Preliminary results have shown minimal differences in the receptor structure, however, further structural analyses are planned. The results from this study will ideally aid in the design of novel non-hallucinogenic agonists of the receptor for use as antidepressants.
Keywords: Computational Chemistry, Drug Design, Serotonin, Depression, Molecular Dynamics, Hallucinogenic Drugs, Serotonin 2A Receptor
Topic(s):Biochemistry and Molecular Biology
Chemistry
Computer Science
Presentation Type: Oral Presentation
Session: 308-2
Location: MG 1000
Time: 1:30