My research spans analysis of Alzheimer’s trial data with Python and the design of TREM2 agonists through computational and experimental work. Through ASI and research experiences with UCSF, Duygu Lab, and ASDRP, I have developed and presented findings to faculty and at the Synopsys science fair. On the TREM2 project — a microglial receptor whose activation promotes clearance of amyloid-β plaques — we designed 232 analogs of the C1 small-molecule agonist scaffold and docked every one with SwissDock and AutoDock Vina against chain A of the 5ELI crystal structure, profiling ADMET properties with SwissADME. Two leads emerged: A4M (−7.0/−7.1 kcal/mol, strong drug-like profile) and A58M (−7.7/−7.8 kcal/mol via a hydrogen bond with Ser65). Synthesis for that junior-year project has now been completed — from the 91%-yield condensation to the A1 starting material and the Suzuki–Miyaura couplings through to the final target compounds. A second research project is currently underway, with compound synthesis in progress.
What I’ll carry forward
- Poster: Targeting TREM2: In Silico Design of a Small Molecule Agonist
- Docked 232 C1 analogs (SwissDock + AutoDock Vina vs. TREM2 structure 5ELI); leads A4M and A58M beat both controls, VG-3927 and C1
- Junior-year TREM2 project completed end to end — synthesis of the target compounds finished
- Second research project currently underway, with synthesis in progress
- Presented findings to faculty and at the Synopsys science fair
- SCVSEFA Honorable Mention
- Top 25 recognition from CENIC / UC San Diego Supercomputer Center