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By molecular simulation, we have previously shown that YMU1 acts on the catalytic pocket of TMPK, which causes the expulsion of the lid domain to give an open conformation that inhibits the catalytic process 19

Saikia J, Sarma RK, Dhandia R, Yadav A, Bharali R, Gupta VK,et al

AHK-Cu's modified amino acid structure was designed with that interaction as the entire point

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3.2.3 Downregulate expression of NF-B and upregulate expression of Nrf-2 NF-B regulated inflammatory responses and its activation lead to increased expression of pro-inflammatory cytokines, while nuclear factor-erythroid 2related factor 2 (Nrf-2) reduced the synthesis of inflammatory mediators by inhibiting the NF-B (Hegazy and El-Bedewy, 2010