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. 2016 Jan 7;11(1):e0146529. doi: 10.1371/journal.pone.0146529

Table 3. The statistical results of PIs docking into CYP3A4 active site in the presence of methamphetamine.

R-MA mode1 Average score [a] Average score [b] ΔScore Average distance (Å) [c] Average distance (Å) [d] ΔDistance (Å)
Lopinavir 51.6 47.84 3.76 3.16 5.45 -2.29
Type I Atazanavir 44.62 41.88 2.74 3.61 6.42 -2.81
Tipranavir 46.09 46.9 -0.81 3.75 6.33 -2.58
Nelfinavir 49.16 47.57 1.59 3.6 5.31 -1.71
Type II Ritonavir 57.56 46.75 10.81 3.16 5.7 -2.54
Indinavir 55.88 52.37 3.51 3.37 5.74 -2.37

a. Average score of major cluster in the absence of methamphetamine

b. Average score of major cluster in the presence of methamphetamine

c. The average distance between the atom of site closest to Fe and Fe for all top 10 conformers in the absence of methamphetamine.

d. The average distance between the atom of site closest to Fe and Fe for all top 10 conformers in the presence of methamphetamine.