1. Why Are We Still Doing Industrial
Age Drug Discovery For Neglected
Diseases in The Information Age?
Fuquay Varina, NC
2. Some Technologies change faster than we do
3. But Drug Discovery has not changed much in 40 years
4. Because change
Drug discovery is a very slow
race… that needs a kickstart
5. Still valuing the 70’s BLOCKBUSTER
model but its changing
And of course no treatments for neglected diseases are blockbusters
6. The Old School vs New School
New School - Many hurdles before in vivo lots of data Yet HTS started in the 1980’s!!
Old school – go in vivo at outset – little data
New database technologies work well for
New school but ..Old School type data ?
7. Drug Discovery Archeology
• Still a heavy emphasis on
“testing” “doing “ rather
• Mining data and historic
data will increase in value
• Data becomes a
• How do we position
databases for this?
• What about neglected
8. Now neglected diseases has big data too
9. A computational
window into data and
Should there be more ?
10. But what about small data?
• In some cases its all we have
• In vivo data is not high throughput
• Small data builds networks
11. Ponder et al., Pharm Res In Press 2013
12. Big Data: Screening for New Tuberculosis Treatments
Tested >300,000 molecules
>1500 active and non toxic
How many will become a new drug?
How do we learn from this big data?
13. Small data: Mouse In vivo model data
«Tuberculosis» 333 papers in PubMed
«Malaria» 301 papers in PubMed
14. Can combining Big and Small
data (in vitro, in vivo) help us
find better compounds,
Avoid testing as
15. In vitro data
In vivo data
ADME/Tox data & Models
Connecting data/tools like a TB Spider
Drug-like scaffold creation
TB Prediction Tools
16. Where are the New TB drugs to be found?
In vivo actives (yellow)