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The number of compounds from each group for the selected targets is shown in Table 6.
Several compounds from each class were synthesized and assayed for binding to the human bradykinin B2 receptor.
For each compound from NCGC the highest similarity was retained with the Scripps compounds from each category.
Then, we analyzed these six furanocoumarins in Baizhi root and found different patterns of furanocoumarin compounds from each harvest stage.
Correlation coefficients among the reactive compounds were generally higher for sand than for clay, but insufficiently high to allow good estimation of reactive compounds from each other.
The in vivo antidiabetic activities of most potent compounds from each series (2c and 3c) were assessed in C57BL/6J mice.
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Ten docked poses were saved for each compound from each program, and all the poses were again submitted to pharmacophore filtering.
Structure determination of hDHODH co-crystallized with one representative compound from each series (4, 5 and 6) confirmed the brequinar-like binding mode as suggested by modelling.
When tested at 5 and 20 μM, at least one compound from each series was found to be a highly inducer of GSH efflux.
The fluorine-18 radiochemistry of one compound from each structural type was assessed to confirm that an automated radiosynthesis in good yield was feasible.
Structure determination of AKR1C3 co-crystallized with one representative compound from each of the two series clearly identified both compounds in the androstenedione binding site, hence supporting the biochemical data.
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