Here, we applied a modified self-organizing map algorithm for in silico recognition of molecular fragments binding two targets: 5-lipoxygenase and soluble epoxide hydrolase. The predicted properties were confirmed by complementary screening techniques: STD-NMR and enzyme assay. A variety of dual fragments active in both complementary assays could be obtained using self-organizing maps, which was optimized towards nanomolar inhibitory activity against both targets.
Fragment-based Approach to Multi-target Compounds
Video May 08, 2015
Aerogels are the world's lightest (least dense) solids. They are also excellent thermal insulators and have been used in numerous Mars missions and the Stardust comet particle-return mission. The focus of this video is silica aerogels, though graphene aerogels are now technically the lightest.