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. 2019 Jul 3;4(7):11621–11630. doi: 10.1021/acsomega.9b01433

Figure 2.

Figure 2

Molecular docking studies. (A) Rubrofusarin at the binding sites of PTP1B; (a2) and (a3) represent a close-up of the 3D binding pose of rubrofusarin in the predicted catalytic and allosteric sites of PTP1B, respectively. (B) Rubrofusarin at the binding sites of human monoamine oxidase A (2z5x); (b2) and (b3) represent a close-up of the 3D binding pose of rubrofusarin in the predicted allosteric and catalytic sites of hMAO-A, respectively. The different color dotted lines represent specific interactions; deep pink, π–π stacked and π–π T-shaped; pale pink, π–alkyl; purple, π–σ; green, H-bond; O–H; and pale green, H-bond, C–H.