Article,
Drug discovery: Predicting promiscuity
Nature, 462 (7270): 167--168 (Nov 11, 2009)
DOI: 10.1038/462167a
Abstract
Computational methods that reliably predict the biological activities of compounds have long been sought. The validation of one such method suggests that in silico predictions for drug discovery have come of age. The metaphor of drugs acting as 'magic bullets', selectively binding to specific physiological targets, dates back to Paul Ehrlich and the foundation of modern drug discovery. But in recent years, the observation that drugs often bind to more than one molecular target — that they exhibit polypharmacology — has gained attention1, suggesting that a 'magic shotgun' analogy might be more apt (Fig. 1
