A New Tool to Find New Drugs

Andy D Lee
Mar 27, 2018 · 9 min read
Figure 1. Inventions which have changed the course of humanity. From left to right, an early microscope, the Wright brothers’ first flight, and the first transistor.
Figure 2. Penicillin

Problems in Drug Discovery

Figure 3. Cause of clinical trial failures (Source: https://www.nature.com/articles/nrd.2016.184)

Why Neuro?

Figure 4. Change in causes of death.

Recipe for a Successful New Medicine.

Figure 5. Recipe for successful new drug. Target and Patient selection primary cause of efficacy failure.

NeuroInitiative’s Simulation Platform

Figure 6. High-level system architecture of NeuroInitiative’s SEED simulation platform.
Figure 7. Screenshot of virtual cell visualization from SEED user interface
Figure 8. Mapping cellular spatial layout from data model to visualization.
Figure 9. Protein Protein Interaction as listed in IntAct at top, followed by one of the variations in SEED.
Figure 10. Simulation timestep loop.
Figure 11. Math used to simulate Newtonian physics.
Figure 12. Comparison of simulation results to biological studies.
Figure 13. Overlap between genetic and sporadic forms of disease provide interesting hypotheses.
Figure 14. Results of G2019S knock-in simulation.
Figure 15. Source of human patient transcriptomic data.
Figure 16. Results of Sporadic patient simulation.
Figure 17. Levels of active RAB3A over time on left. Schematic of synaptic vesicle cycle on right.
Figure 18. Change in ratio of inactive Rab3A after treatment in simulation.


Andy D Lee

Written by

Co-founder of NeuroInitiative and Vincere Bio. When I'm not on the computer, you can find me swimming, biking, or running.

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