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. Author manuscript; available in PMC: 2012 Dec 18.
Published in final edited form as: ChemMedChem. 2012 Oct 25;7(12):2077–2081. doi: 10.1002/cmdc.201200345

Table 1.

Virtual prediction and the biological effects of lichen depsides and depsidones on the activity of mPGES-1 determined in a cell-free assay.

Comp Model[a] Activity[b] [%] IC50[c]m]
1 74.6±10.7 >10
2 M2 14.9±4.9 0.43
3 60.8±10.7 >10
4 75.5±12.9 >10
5 73.3±9.7 >10
6 89.1±12.5 >10
7 M2 53.9±2.7 >10
8 M1 12.8±3.7 0.4
9 M2 22.1±5.6 1.15
10 87.5±13.2 >10
[a]

Pharmacophore models: “M1”= retrieved by pharmacophore model M1; “M2”= retrieved by pharmacophore model M2; “–”= not found by M1 or M2.

[b]

mPGES-1 % remaining activity at 10 μm. Data represent the mean ±SE of n=3–4 independent experiments.

[c]

IC50 against mPGES-1. Values quoted were determined by extrapolation. See the Experimental Section for details.