Rational drug discovery revisited: interfacing experimental programs with bio- and chemo-informatics

Over the past few years, bio- and chemo-informatics have rapidly evolved as related yet distinct disciplines. In drug discovery, it is increasingly re cognized that combining and integrating these approaches is crucial for the ir successful application. In addition, the use of complementary experiment al and informatics techniques increases the chances of success in many stag es of the discovery process, from the identification of novel targets and e lucidation of their functions to the discovery and development of lead comp ounds with desired properties. This review highlights recent trends that em phasize the role of integrated bio- and chemo-informatics research in drug discovery and discusses representative concepts and methodologies.