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A typical case is the development of glycogen synthase kinase-3 (GSK-3)/inhibitor of nuclear factor-B kinase- (IKK-) dual-target inhibitors, where the research team combined molecular docking with 200 ns MD simulation, not only verifying the binding stability of lead compounds but also discovering their unique hydrogen bond networks formed with the adenosine 5-triphosphate (ATP) binding pockets of both targets, ultimately achieving half maximal inhibitory concentration (IC 50 ) values of 12 nm and 8 nm for GSK-3 and IKK-, respectively (Roy Acharyya et al., 2022)
10.1038/s41598-017-11359-x 21 MedinaS
J., Snider, J
Because cyanide poisoning by ingestion is less common than smoke inhalation-associated cyanide poisoning, less information is available on prehospital use of hydroxocobalamin to treat cyanide poisoning by ingestion
10.1016/j.freeradbiomed.2013.01.023 38 KimK
A.AzarbarzinA.MarquesM.de MeloC.et al (2016b)
