Computational biology in drug discovery

Drug design software
Computer-Aided Drug Design (CADD) CADD helps scientists in minimizing the synthetic and biological testing efforts by focussing only on the most promising compounds.
Besides explaining the molecular basis of therapeutic activity, it also predicts possible derivatives that would improve activity..
Drug design software
In pharmaceutical research, systems biology efforts are directed towards the identification of drug targets, the development of novel therapeutics and new indications for existing drugs..
Drug design software
Virtual screening: Computer algorithms can be used to screen virtual libraries of compounds to identify those that have the greatest potential for binding to a target protein.
This can help to identify new drug candidates more quickly and at lower cost than traditional experimental methods..
What is the role of bioinformatics in drug discovery?
Bioinformatics can speed up the identification of therapeutic targets, screening drug candidates, and refinement of those candidates.
It can also make it easier to characterise side effects and anticipate drug resistance..

Drug design software