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.
Exploring Compound Promiscuity Patterns and Multi-Target Activity Spaces
Ye Hu,Disha Gupta-Ostermann,J. Bajorath
Published 2014 in Computational and Structural Biotechnology Journal
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- Publication year
2014
- Venue
Computational and Structural Biotechnology Journal
- Publication date
2014-01-29
- Fields of study
Medicine, Chemistry, Computer Science
- Identifiers
- External record
- Source metadata
Semantic Scholar, PubMed
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