Data from National Autonomous University of Mexico (UNAM) Provide New Insights into Drug Design and Development (Consensus docking aid to model the activity of an inhibitor of DNA methyltransferase 1 inspired by de novo design).

A recent report from the National Autonomous University of Mexico (UNAM) discusses a consensus docking strategy to study the activity of inhibitors of DNA methyltransferase 1 (DNMT1). DNMT1 is an epigenetic target involved in drug design and development. The researchers used a docking protocol to explain the activity of a novel DNMT1 inhibitor with a distinct chemical scaffold, which was inspired by de novo design and similarity searching. The study found that the consensus docking approach aligned well with experimental enzymatic inhibition assays reported in the literature. For more information, readers can access the full article published in Frontiers in Drug Discovery. [Extracted from the article]