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. 2020 Jun 10;8:e9163. doi: 10.7717/peerj.9163

Table 1. Docking parameters of verapamil and secoisolariciresinol (SECO) into P-glycoprotein substrate-binding site.

Ligand MolDock score Rerank score H-Bond score
Docking into the substrate-binding site Verapamil −133.3 −67.9 −2.7
SECO −123.2 −96.7 −2.0