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Integrated docking, molecular dynamics, and Markov state modelling reveal epigenetic target engagement by anti-obesity drugs

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Epigenetic regulators such as DNA methyltransferase 3 alpha (DNMT3A), p300 histone acetyltransferase (HAT), and histone deacetylase 3 (HDAC3) govern adipocyte differentiation, lipid metabolism, and metabolic memory, contributing to obesity progression. However... ...