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However, local SA techniques cannot reveal compound effects where one parameter's influence is dependent on the value of another.
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However, such approaches are generally more successful with compounds that bind to their target with high affinity, while screening of several hundreds of analogs did not reveal compounds with potencies lower than 1 µM.
The use of multiple reporter-based assays to test ARE pathway activity has the potential to reveal compound-specific signatures that can be used to further cluster chemicals on the basis of biological activity profiling (Simmons et al. 2009).
This is distinct from technologies that look globally at a class of molecules, for example, IEF or HPLC that reveal all hemoglobin variants, or an MS/MS run to detect acylcarnitines that reveal compounds in the C2 through C18 range.
Immunofluorescence also revealed compound 3i could lightly reduce activation p65 in nuclei.
Docking study revealed compound 4c has a favorable binding mode and interpreted the SAR of these analogs.
A high throughput screening campaign revealed compound 1 as a potent antagonist of the human CCK1 receptor.
The HMBC correlations of H2-3′ (δH 4.27, s) with C-2′ and C-4′, revealed compound 6 was a propanedioic acid derivative (Fig. 2).
Subsequent evaluation in NHP PET imaging revealed compound 8 provided best specific binding in NHP with an estimated specific to non-specific ratio of 1.28.
Single crystal structures revealed compound 1b adopted typical herringbone structure with strong C H⋯π, S⋯π and S⋯S interactions in the crystals.
Additional pairwise target comparison revealed compound relationships between miR-142-3p miR-142-3p miR-142-3p
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