drug designing and discovery
TRANSCRIPT
Drug Designing and
Discovery
Presented by- Ashish ThakurB.Sc (Hons.) Bioinformatics
Jaipur National University
Most commonly an organic molecule.
Activates or inhibits the function of
a bio-molecule.
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.
Steps and process
Research and development
Clinical trails
Data mining
Find out what is known about the disease. Drug target identification.
Develop an assay
To develop an assay technique to test drug effectiveness.
Tissue samples
Microbial colonies
Laboratory animals
Consider financial issues
To make financial decisions, whether to proceed with the development or NOT.
Average cost per drug development varies from 897 million US$ to 1.9 billion US$.
Development process time is 10-15 years.
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.
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.
Refine drug activity and drug testingPre- clinical trials- Animal testing
Clinical trials- On few human volunteers
Clinical trials- On few 100 patients and then 1000 patients
FDA approval or rejection
FDA continues to monitor drug performance long after approval have been given.
Formulation
Cream Tablets Oral liquids
Production
It is the process of industrial-scale synthesis of pharmaceutical drugs by pharmaceutical companies.
Marketing
Pharmaceutical marketing, sometimes called medico-marketing in some countries, is the business of advertising or otherwise promoting the sale of drugs.
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.
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.
References Computational Medicinal Chemistry for Drug Discovery
By: Patrick Bultinck(Ed) Edition: I edition . December 2003 http://bioinformaticsweb.net/drugdiscovery.html