AI Article Synopsis
- The article discusses efforts to develop inhibitors that target both MMP2 and CK2 enzymes using a rational drug design approach based on previous selective inhibition experience.
- Although they produced effective inhibitors for both MMP2 and CK2, creating a single compound that targets both was not successful.
- Interestingly, they discovered new selective inhibitors for MMP13 with significantly low activity levels, which offer a promising foundation for further development.
Article Abstract
In this article, we describe our efforts in the search of MMP2/CK2 dual targeting inhibitors. We have followed a rational drug design approach based on our experience in the selective inhibition of these two enzymes. We have successfully obtained highly active MMP2 (10, IC50 = 70 nM; 11, IC50 = 100 nM) and CK2 (16a, IC50 = 500 nM) inhibitors. However, structural fine tuning of these small molecules to simultaneously target both enzymes turned out to be an unattainable goal. Unexpectedly, we were lucky to identify new and selective MMP13 inhibitors (10, IC50 = 3.7 nM and 11, IC50 = 5.6 nM) with a novel TBB-derived scaffold. These compounds constitute an interesting starting point for further optimization.
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| http://dx.doi.org/10.1039/c8ob02990c | DOI Listing |
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