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• W4256405145 abstract "Selective optimization of side activities is a valuable source of novel lead structures in drug discovery. In this study, a computer-aided approach was used to deorphanize the pleiotropic cholesterol-lowering effects of the beta-blocker talinolol, which result from the inhibition of the enzyme soluble epoxide hydrolase (sEH). X-ray structure analysis of the sEH in complex with talinolol enables a straightforward optimization of inhibitory potency. The resulting lead structure exhibited in vivo activity in a rat model of diabetic neuropatic pain." @default.
• W4256405145 created "2022-05-12" @default.
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• W4256405145 date "2019-05-29" @default.
• W4256405145 modified "2023-10-15" @default.
• W4256405145 title "Computer-Aided Selective Optimization of Side Activities of Talinolol" @default.
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• W4256405145 doi "https://doi.org/10.1021/acsmedchemlett.9b00075" @default.
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