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In silico Screening for Signalosome Inhibitors

In silico Screening for Signalosome Inhibitors content piece image
The COP9 signalosome (CSN) is involved in cell cycle regulation, possesses kinase activity (Targets: e.g. p53 and c-Jun) and is therefore an interesting therapeutic target for anti-tumor drugs. Known inhibitors of the kinase activity exhibit low binding constants. Using them a 3D similarity screening for our in-house database is performed. The superposition algorithm enables the explicit consideration of conformers reflecting the structural flexibility. Experimental tests show significant improvement of inhibition.