New publication in "Chemistry Select"
New enzyme specific inhibitors of DNA methyltransferases could be of great threpeutic value. In this paper, Hassanzadeh et al. describe the design and valildation of novel non-nucleosidic DNMT1 inhibitors derived by pharmacophore modeling, virtual screening and docking targeting the binding pocket of DNMT1 for the flipped target cytosine base. The most active compound described here inhibits DNMT1 selectively with a Ki of 1.9 µM. In agreement with predictions from the modelling, inhibition is non-competitive with the DNA substrate and mixed with the SAM cofactor.
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