Exploring compound promiscuity patterns and multi-target activity spaces

Publication date: January 2014 Source:Computational and Structural Biotechnology Journal, Volume 9, Issue 13 Author(s): Ye Hu , Disha Gupta-Ostermann , Jürgen Bajorath Compound promiscuity is rationalized as the specific interaction of a small molecule with multiple biological targets (as opposed to non-specific binding events) and represents the molecular basis of polypharmacology, an emerging theme in drug discovery and chemical biology. This concise review focuses on recent studies that have provided a detailed picture of the degree of promiscuity among different categories of small molecules. In addition, an exemplary computational approach is discussed that is designed to navigate multi-target activity spaces populated with various compounds.
Source: Computational and Structural Biotechnology Journal - Category: Biotechnology Source Type: research