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In silico binding analysis of TPI-4 to AS3MT and COMT. TPI-4 was docked with the crystal structure of (A) the AS3MT orthologue CmArsM (4FS8) and (B) COMT (3BWM) using AutoDock Vina (ADVina)33 as described under Materials and Methods. Surface plots of the two proteins are shown with TPI-4, SAM, PhAs(III), and 3,5-dinitrochatechol represented in stick form. Molecular models were generated using PyMol.34
