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. 2019 Nov 15;14(11):e0225244. doi: 10.1371/journal.pone.0225244

Table 1. Correlation of docking simulation results with in vitro conjugation capacity of UGT1A1.

Substrate Correct binding mode of UDPGA Hydroxyl orientation of substrate
Correlation coefficient P value Correlation coefficient P value
AAP - 0.189 0.7195, >0.05 0.954 0.0032, <0.01
E2 0.114 0.8298, >0.05 0.994 0.00005, <0.001