16-11-2012, 06:26 PM
COMPUTER AIDED DRUG DESIGN(CADD)
COMPUTER AIDED DRUG.pptx (Size: 1.08 MB / Downloads: 37)
DRUG DESIGN
It is the inventive process of finding new medications based on the knowledge of a biological target.
In the most basic sense, drug design involves the design of small molecules that are complementary in shape and charge to the bio molecular target with which they interact and therefore will bind to it.
What is CADD?
Computer-aided drug design (CADD) is one of these tools which can be used to increase the efficiency of the drug discovery process. CADD cannot, however, maximize its utility in isolation and will not do so. Rather, it can form a valuable partnership with experiment by providing estimates when experiments are difficult, expensive, or impossible, and by coordinating the experimental data available.
What is the need of CADD?
Medicinal chemists today are facing a serious challenge because of the increased cost and enormous amount of time taken to discover a new drug, and also because of fierce competition amongst different drug companies…
CADD Benefits
Reduce costs
Reduce time-to-market
Reduce side effects
Improve success rate
Improve bioavailability & bioactivity
Model “difficult” molecules (i.e. hard to
crystallize, measure, analyze)
Improve understanding of drug-receptor
interactions
Conclusion
The drug discovery and development process is a long and expensive one.
But computer aided drug design approach has been of great importance to develop fast and accurate target identification and prediction method for the discovery.