Bioinformatics and Rational Drug Design: Tools for Discovery and Better Understanding of Biological Targets and Mode of Action of Drugs

Abstract

Background : With the advent of modern high throughput technologies in both genomics and biological screening, and at the same time the enormous advances in computer technology, it is now feasible to use these tools in rational approaches in the search for new medicines. The role of bioinformatics in the search for new medicines is discussed. Methods : Discussion of the author's own work on bioinformatics in drug research in future perspective. Results : The emerging discipline of Bioinformatics plays a central role in the concert of technologies of the 'biological revolution' because it allows for handling of the enormous data load that comes with sequencing efforts and subsequent analyses of whole genomes, with mRNA profiling techniques and, last but not least, at a later stage of drug discovery the up-to-date application of rational drug design techniques to 3D structures of target proteins. This article covers and explains parts of the steps used in modern pharmaceutical research by means of a small number of examples. Conclusion : Bioinformatics is likely to play a pivotal role in the rational approaches for the search of new medicines.

• Bioinformatics
• Flexible Docking
• Nitric Oxide Synthases
• Rational Drug
• Design