|Title||Deorphaning the Macromolecular Targets of the Natural Anticancer Compound Doliculide.|
|Publication Type||Journal Article|
|Year of Publication||2016|
|Authors||G Schneider, D Reker, T Chen, K Hauenstein, P Schneider, and K-H Altmann|
|Journal||Angewandte Chemie International Edition|
|Pagination||12408 - 12411|
The cyclodepsipeptide doliculide is a marine natural product with strong actin-polymerizing and anticancer activities. Evidence for doliculide acting as a potent and subtype-selective antagonist of prostanoid E receptor 3 (EP3) is presented. Computational target prediction suggested that this membrane receptor is a likely macromolecular target and enabled immediate in vitro validation. This proof-of-concept study demonstrates the in silico deorphanization of phenotypic screening hits as a viable concept for future natural-product-inspired chemical biology and drug discovery efforts.
|Short Title||Angewandte Chemie International Edition|