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One small focused library has been synthesized and tested against ME.
In each case, the focused library showed three to four times more enrichment compared to random screening of compounds.
In particular, SE has been used previously to determine the similarity between a given molecule and a focused library [24].
This proves that the physicochemical property-based focused library is more diverse than structure-based focused libraries.
An in silico biased-screening using the focused library rendered three compounds with inhibitory activity of IC50 <100 μM.
This study also demonstrates the validity of structure-guided approaches to focused library design and lead compound optimization.
Subsequently, hit optimization for potent and selective candidate Src inhibitors was performed through focused library design and docking analyses.
Herein, we report the design and synthesis of a focused library of salicylic acid containing Stat3 SH2 domain binders.
Chemogenomics has been applied in lead generation, target classification, focused library design as well as selectivity and polypharmacology profiling.
Therefore, we designed and tested a focused library of analogs for their ability to decrease SOD1 expression in vitro.
Using this approach, a focused library of advanced N-arylacyl, N-arylalkyl, and bis-THIQ3CA analogs was synthesized.
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