Systematic identification of pharmacological targets from small-molecule phenotypic screens.
DePick weiß, wo Arzneistoffe andocken
DePick knows where drugs dock
||Dr. Mónica Campillos||PR 2016-10-01
Phenotypic drug discovery offers some advantages over target-based methods, mainly because it allows drug leads to be tested in systems that more closely model distinct disease states. However, a potential disadvantage is the difficulty of linking the observed phenotype to a specific cellular target. To address this problem, we developed DePick, a computational target de-convolution tool to determine targets specifically linked to small-molecule phenotypic screens. We applied DePick to eight publicly available screens and predicted 59 drug target-phenotype associations. In addition to literature-based evidence for our predictions, we provide experimental support for seven predicted associations. Interestingly, our analysis led to the discovery of a previously unrecognized connection between the Wnt signaling pathway and an aromatase, CYP19A1. These results demonstrate that the DePick approach can not only accelerate target de-convolution but also aid in discovery of new functionally relevant biological relationships.
Core statement Pressemitteilung:
Cell-based test systems have proven satisfactory for identifying new pharmacologically active molecules. Scientist from the Helmholtz Zentrum München use DePick software to show how mathematics can be used to find the right target structures.
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