Insights into polypharmacology from drug-domain associations

• DOI: 10.1093/bioinformatics/btt321
• Publication Date: 2013-06-06T00:44:12Z
• Authors: Aurelio A. Moya-G...; Juan A. G. Ranea
• Keywords: 0303 health sciences; 03 medical and health sciences; Polypharmacology; Humans; Proteins; Phylogeny; Protein Structure, Tertiary; 3. Good health

Abstract Motivation: Polypharmacology (the ability of a single drug to affect multiple targets) is key feature that may explain part the decreasing success conventional discovery strategies driven by quest for drugs act selectively on target. Most targets are proteins composed domains (their structural and functional building blocks). Results: In this work, we model drug–domain networks explore role protein as polypharmacology in terms interactions between domains. We find organized around privileged set druggable Conclusions: Protein good proxy targets, emerges consequence multi-domain composition proteins. Contact: [e-mail] Supplementary information: data available at Bioinformatics online.