RT Journal Article
SR Electronic
T1 Structural and Functional View of Polypharmacology
JF bioRxiv
FD Cold Spring Harbor Laboratory
SP 044289
DO 10.1101/044289
A1 Aurelio Moya García
A1 Tolulope Adeyelu
A1 Felix A Kruger
A1 Natalie L. Dawson
A1 Jon G. Lees
A1 John P. Overington
A1 Christine Orengo
A1 Juan A.G. Ranea
YR 2017
UL http://biorxiv.org/content/early/2017/02/17/044289.abstract
AB Protein domains mediate drug-protein interactions and this effect can explain drug polypharmacology. In this study, we associate polypharmacological drugs with CATH functional families, a type of protein domain and we use the network properties of these druggable protein families to analyse their relationships with drug side effects. We found druggable CATH functional families enriched in drug targets, whose relatives are structurally coherent, gather together in the protein functional network occupying central positions, and tend to be free of proteins associated with drug side effects. Our results demonstrate that CATH functional families can be used to identify drug-target interactions, opening a new research direction in target identification.