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CHARMM-GUI ligand reader and modeler for CHARMM force field generation of small molecules

Inhibitor of OCT2 Transporter Activity The screening of a large-scale bioactive compound library (8,086 compounds) identified the FDA-approved TKI dasatinib as a potent inhibitor of the OCT2 transporter, which is involved in oxaliplatin uptake to the DRG (Sprowl et al., 2016)

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SAM levels were decreased, but S-adenosylhomocysteine (AdoHcy, SAH) levels were elevated considerably, with global DNA hypomethylation observed in both heterozygotes and homozygotes 38