AI Article Synopsis
- The study focuses on the design and synthesis of a new group of compounds called 2-benzylidenebenzofuran-3-ones (aurones), which are effective inhibitors of the enzyme CK2.
- A range of these aurones demonstrated strong inhibitory effects on CK2, with several compounds showing nanomolar activity in tests, indicating high potency.
- The most effective compound identified, labeled 12m (BFO13), achieved significant performance metrics, showcasing an enhanced lipophilic efficiency and an IC value of 3.6 nM, making it comparable to top CK2 inhibitors.
Article Abstract
In this work, we describe the design, synthesis and SAR studies of 2-benzylidenebenzofuran-3-ones (aurones), a new family of potent inhibitors of CK2. A series of aurones have been synthesized. These compounds are structurally related to the synthetic flavones and showed nanomolar activities towards CK2. Biochemical tests revealed that 20 newly synthesized compounds inhibited CK2 with IC values in the nanomolar range. Further property-based optimization of aurones was performed, yielding a series of CK2 inhibitors with enhanced lipophilic efficiency. The most potent compound 12m (BFO13) has CLipE = 4.94 (CLogP = 3.5; IC = 3.6 nM) commensurable with the best known inhibitors of CK2.
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| http://dx.doi.org/10.1016/j.bioorg.2020.104062 | DOI Listing |
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