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 recognized that combining and integrating these approaches is crucial for their successful application. In addition, the use of complementary experimental and informatics techniques increases the chances of success in many stages of the discovery process, from the identification of novel targets and elucidation of their functions to the discovery and development of lead compounds with desired properties. This review highlights recent trends that emphasize the role of integrated bio- and chemo-informatics research in drug discovery and discusses representative concepts and methodologies.