ArticleResearch in pharmaceutical sciences2026
Design, synthesis, and biological evaluation of novel aryl isoxazoles as potential Hsp90 inhibitors.
Article in Research in pharmaceutical sciences, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Background and purpose: Heat shock protein 90 (Hsp90) is a molecular chaperone critical for the stabilization of numerous oncoproteins, making it a promising target for anticancer drug development. This study aimed to design, synthesize, and evaluate novel 3,5-diarylisoxazole derivatives as potential Hsp90 inhibitors. Experimental approach: A series of 3,5-diarylisoxazole compounds (5R Findings/Results: All compounds showed favorable binding energies. Compound 5R3 showed the highest binding affinity (ΔG = -7.83 kcal/mol) and the highest cytotoxicity against MCF-7 cells (IC50 = 0.014 μM) and significantly reduced Hsp90 concentration from 5.54 ng/mL (untreated) to 1.56 ng/mL. Furthermore, molecular dynamics simulation studies confirmed the stability of the Hsp90-5R Conclusion and implications: Compound 5R
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