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Furthermore, the encapsulated cationic model compounds exhibit a pH-responsive releasing property.
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However, the 10-fold CV PGM models increased the relative performance over the QSAR F models on the uncorrelated bioactivities 0.5 dataset, with respective RMSEtest values of 0.58 versus 0.69 pGI50 units, respectively, highlighting the finding that the PGM models appear to be more suitable for modelling compounds exhibiting an uncorrelated pGI50 value on a cell line panel.
Indeed, as measured with stereoisomers of the model compounds, V146H/L363E exhibited an improved binding constant (Km) compared to wt hCE1 with either stereospecific compound [8].
Upon intraperitoneal administration both compounds exhibit analgesic activity in a rodent model of inflammatory pain.
Both compounds exhibit anti-inflammatory effect in the dorsal air pouch model of inflammation as shows by inhibition of PGE2 secretion.
Given that similar compounds exhibit similar growth inhibition profiles (Shivakumar and Krauthammer, 2009), it was expected that the model performance would considerably decrease when predicting the activity of structurally dissimilar compounds.
In the PTZ-induced seizure model, the three compounds exhibited comparable anti-epilepsy activity as retigabine.
All four tested compounds exhibit Y1 selectivity.
Notably, chiral compounds exhibit stereoselective activity.
The investigated compounds exhibit several oxidation processes.
The doped compounds exhibit excellent rate capability.
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