I am a health informatics data scientist with interests in knowledge management applied to target and drug discovery, translational bioinformatics, target and drug repositioning, and health-record analytics. At AstraZeneca, I conceptually developed the lead-like approach for combinatorial chemistry and fragment-based drug discovery.
I evaluated over 500 bio-assays spanning hundreds of thousands of chemicals, and more than 50 target-based projects. This led to the identification of 7 NIH-designated chemical probes, including high-activity compounds for the G-protein coupled estrogen receptor (GPER), the formyl peptide receptors 1 and 2 (FPR, FPR2), the small GTP-ases Rac1 and Cdc42, and the ABCG2 efflux transporter, as well as a selective inhibitor for GLUT5, a fructose-only transporter. My in silico drug repositioning work at UNM led to anti-cancer clinical trials for Raltegravir (NCT01275183; as metnase inhibitor) and R-ketorolac (NCT01670799; as Rac1/Cdc42 inhibitor). I spent 4 years with Leslie Benet at UCSF (2007-2011) mining pharmacokinetics data, to understand the impact of drug metabolism and drug solubility on biodisponibility, drug safety and drug efficacy.