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. Author manuscript; available in PMC: 2022 Dec 1.
Published in final edited form as: Neuropharmacology. 2021 Oct 4;200:108820. doi: 10.1016/j.neuropharm.2021.108820

Figure 3.

Figure 3.

In silico interaction of MDPV and its analogs at the S1 binding site of hDAT. Possible binding mode of MDPV (capped sticks rendering; yellow carbon atoms), MDPPP (wheat carbon atoms), and α-PVP (orange carbon atoms) at the hDAT homology model (amino acid residues depicted as wire; cyan carbon atoms).