Figure 8 | Scientific Reports

Figure 8

From: Combinatorial Pharmacophore Modeling of Multidrug and Toxin Extrusion Transporter 1 Inhibitors: a Theoretical Perspective for Understanding Multiple Inhibitory Mechanisms

Figure 8

Hypothetic models for MATE1 inhibition.

Sub: substrate. Inhibitors matching HHR1 or DRR compete for substrate binding site and competitively inhibit the transporting of the substrate. Inhibitors matching AAAP lock the transporter conformation transformation and noncompetitively inhibit the transporting of the substrate. The binding site of inhibitors matching HHR2 can be in either the N lobe or the central lobe.

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