Cataloging the interactome of small molecules and the human proteome
David Gurwitz · Drug Development Research · 2010
Abstract Recent advances in computational power permit accurate in silico predictions of the interactions between small molecules and protein targets. Countless studies have been published about such interactions and about computational tools for predicting drug—target interactions. What is still missing, and would greatly facilitate drug design and development, is a comprehensive and open database allowing the extraction of information on the predicted interactions (interactome) between small molecules and the human proteome. Ideally, such a catalog should include the entire repertoires of published small natural and synthetic compounds and each member of the human proteome. This would be a huge undertaking requiring massive public support. The PubChem database at the National Center for Biotechnology Information may serve as a fine starting point for embarking on such a massive project. Drug Dev Res 72: 1–3, 2011. © 2010 Wiley‐Liss, Inc.