Metoprolol is listed by the U.S. Food and Drug Administration (FDA) as a moderately sensitive substrate for clinical drug-drug interaction (DDI) studies as it is predominantly metabolized by cytochrome P450 2D6 (CYP2D6) [3]. CYP2D6 is an important drug metabolizing enzyme which is estimated...
structure-activity relationship (QSAR), which assumes that molecules with similar structures potentially have similar metabolic properties, or (ii) quantum mechanical calculations used to predict reactivity and/or (iii) docking of potential substrates into the active site of the enzyme [26,27,28,29,...