Molecular modeling and targeted synthesis of new more selective antitumor agents

The discovery of new molecules able to act efficiently on specific biological target, such as over expressed protein of tumor cells is currently a challenge still open to reach less toxic anticancer agents. The recent insights related to cell mecchanisms of tumor diseases described at molecular level , coupled with innovative and powerful computational methodologies open new promising perpectives in the efforts for finding new selective bioactive molecules. Among the different way to discover new lead compouds, one of the most promising in a more tailored way tha pacticed in the past , is the rational design. Such an approach needs the synergy of three different expertises: Organic synthesis, Molecular Modeling and Biological assays. By this way, the synthesis of hundreds of unnecessary molecules could be avoided by preparing only those suggested by modeling techniques.