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In addition, the aldehyde dehydrogenases and GSH-S-transferase are also important aldehydes detoxifying enzymes [86]
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The CyLoc matrix protects the glutathione molecules from early degradation, while DexKey reactors, accompanying each CyLoc molecule, release the molecules at the desired point in the intestinal tract for maximum absorption
We employed a strategy consisting of: (i) using DockTScore within the DockThor docking engine 38 to generate reliable reversible complexes between acrylamide-containing GDP-based inhibitors 7a - i and KRAS G13C , and (ii) refining of these complexes using microsecond MD simulations to explore the proximity of the warhead to Cys13 under native conditions
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