Data Supplement
- Supplemental Figure 1 -
Supplementary Figure 1 - Simulated system of CYP2A6 bound to cinnamaldehyde in its native membrane environment.
- Supplemental Figure 2 -
Supplementary Figure 2 - Molecular interactions and stability of cinnamaldehyde (one and two copies) with the binding site of CYP2A6.
- Supplemental Figure 3 -
Supplementary Figure 3 - Molecular interactions and stability of 2-methoxy cinnamaldehyde (MCA), one and two copies with the binding site of CYP2A6.
- Supplemental Figure 4 -
Supplementary Figure 4 - Predicted CA Inhibitor Depletion During the Time-dependent Inhibition of Nicotine Metabolism.
- Supplemental Figure 5 -
Supplementary Figure 5 - Predicted MCA Inhibitor Depletion During the Time-dependent Inhibition of Nicotine Metabolism.
- Supplemental Material 4 -
Supplementary Material 4 - LC/MS Conditions for Metabolite Identification
- Supplemental Material 5 -
Supplementary Material 5 - LC/MS Conditions for Heme Adduct Method
- Supplemental Material 6 -
Supplementary Material 6 - LC-MS/MS traces and spectra for metabolites generated from CYP2A6-mediated MCA metabolism
- Supplemental Table 1 -
Supplementary Table 1 - Rate constants defined using the numerical method.