Figure 2 | Scientific Reports

Figure 2

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

Figure 2

Illustration of the pharmacophore hypotheses in the final CP model matched by different MATE1 inhibitors: (a) HHR1 with bexarotene. (b) DRR with caffeic acid phenethyl ester. (c) HHR2 with buspirone. (d) AAAP with ergotamine. Pharmacophore features in each hypothesis are labeled, where A represents hydrogen bond acceptor, D represents hydrogen bond donor, H represents hydrophobic feature, P represents positive charge and R represents aromatic ring.

Back to article page