drug designing and discovery
TRANSCRIPT
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Drug Designing and
Discovery
Presented by- Ashish ThakurB.Sc (Hons.) Bioinformatics
Jaipur National University
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Most commonly an organic molecule.
Activates or inhibits the function of
a bio-molecule.
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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.
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Steps and process
Research and development
Clinical trails
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Data mining
Find out what is known about the disease. Drug target identification.
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Develop an assay
To develop an assay technique to test drug effectiveness.
Tissue samples
Microbial colonies
Laboratory animals
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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.
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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.
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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.
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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
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FDA approval or rejection
FDA continues to monitor drug performance long after approval have been given.
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Formulation
Cream Tablets Oral liquids
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Production
It is the process of industrial-scale synthesis of pharmaceutical drugs by pharmaceutical companies.
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Marketing
Pharmaceutical marketing, sometimes called medico-marketing in some countries, is the business of advertising or otherwise promoting the sale of drugs.
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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.
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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.
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References Computational Medicinal Chemistry for Drug Discovery
By: Patrick Bultinck(Ed) Edition: I edition . December 2003 http://bioinformaticsweb.net/drugdiscovery.html