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- W2019956009 endingPage "412" @default.
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- W2019956009 abstract "Rapid Overlay of Chemical Structures (ROCS), which can rapidly identify potentially active compounds by shape comparison, is recognized as a powerful virtual screening tool. By ROCS, a class of novel Hsp90 inhibitors was identified. The calculated binding mode of the most potent hit 36 guided us to design and synthesize a series of analogs (57a–57h). Over 100-fold improvement was achieved in the target-based assay. The most potent compound 57h inhibited Hsp90 with IC50 0.10 ± 0.01 μM. It also showed much improved cell potency and ligand efficiency. Our study showed that ROCS is efficient in the identification of novel cores of Hsp90 inhibitors. 57h can be ideal leads for further optimization." @default.
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- W2019956009 date "2014-05-01" @default.
- W2019956009 modified "2023-09-26" @default.
- W2019956009 title "Identification and optimization of novel Hsp90 inhibitors with tetrahydropyrido[4,3-d]pyrimidines core through shape-based screening" @default.
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- W2019956009 cites W1974391976 @default.
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- W2019956009 doi "https://doi.org/10.1016/j.ejmech.2014.03.061" @default.
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