3. Drug design
More accurately it’s a ligand design.
Involves the designing or modification of molecules
that are complementary to the bio-molecular target.
Frequently relies on computer modeling techniques.
7. Consider financial issues
Development
process time is 10-
15 years.
Average cost per
drug development
varies from 897
million US$ to 1.9
billion US$.
To make financial
decisions, whether
to proceed with the
development or
NOT.
8. Finding the lead compound
Once a suitable target has been
identified, the 3-D structure of it is
determined.
The ligand’s molecular properties
important for a drug’s pharmacokinetics
includes Lipinski’s rule of five.
9. Ligand
based
• Relies on knowledge of other molecules that
bind to the biological target of interest.
Structure
based
• Relies on knowledge of 3-D structure of
biological target obtained through methods
such as X-ray crystallography or NMR
spectroscopy.
10. Refine drug activity and drug
testing
Pre- clinical trials
- Animal testing
Clinical trials
- On few human volunteers
Clinical trials
- On few 100 patients and then 1000 patients
11. Advisory panel of doctors reviews the
data and makes recommendations to the
FDA.
FDA approval or rejection
FDA continues to monitor drug
performance long after approval have
been given.
15. Non-prescription sales
Over-the-counter (OTC) drugs are
medicines sold directly to a consumer
without a prescription.
OTC drugs are selected by a regulatory
agency to ensure that are safe and effective
when used without a physician’s care.
16. Generic production
Once a chemical patent have expired,
the drug can be produced by any
manufacturer.
These are often less expensive as
compared to others.
17. References
Computational Medicinal Chemistry for Drug Discovery
By: Patrick Bultinck(Ed)
Edition: I edition . December 2003
http://bioinformaticsweb.net/drugdiscovery.html