| Assay Method Information | |
| | RGS2 Inhibition Assay |
| Description: | All selected compounds were purchased and tested for their ability to inhibit RGS2-Galpha-q interaction in NanoBit assays. The same assay was also used to test the compounds' ability to inhibit RGS4-Galpha-q interaction as a measure of selectivity. RGS4 was not part of the docking calculations performed here because no structure is available for the human RGS4. It was used in the assays, nonetheless, to test for the validity of our docking approach to selectivity and binding. As Table 1 shows, all 10 compounds selected inhibited RGS2-Galpha-q interaction with moderate to high potency. AJ-1 proved to be the most potent inhibitor, with an IC50 value of 0.04 μM, which was expected since it showed the largest number of correct poses with RGS2, despite having the lowest average docking score. AJ-1 also proved to be highly selective towards RGS2 over RGS4 with a selectivity ratio of 289; second only to AJ-10.AJ-10 is a moderate inhibitor with an IC50 of 7804 but it the most selective of all inhibitors tested since we could not determine an IC50 for it with RGS4.These results show reasonable agreement between our computational predictions and the experimental results. It also illustrates the importance of taking both the number of poses together with the docking scores into account when interpreting docking results instead of relying on one but not the other. |
| Affinity data for this assay | |
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