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Structural Studies of β-Diketones and Their Implications on Biological Effects

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PHARMACEUTICALS
卷 14, 期 11, 页码 -

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MDPI
DOI: 10.3390/ph14111189

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tautomerism; biological effects; structure determinations; DFT calculations; SAR

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This paper briefly summarizes methods for determining the structure of beta-diketones, with a focus on NMR methods and density functional calculations. It discusses the tautomeric equilibria of beta-diketones in relation to biological effects and relevant physical parameters like acidity and solubility. The structure of a series of biologically active molecules, including usnic acids, tetramic and tetronic acids, o-hydroxydibenzoylmethanes, curcumines, lupulones, and hyperforines, is examined.
The paper briefly summarizes methods to determine the structure of beta-diketones with emphasis on NMR methods. Density functional calculations are also briefly treated. Emphasis is on the tautomeric equilibria of beta-diketones in relation to biological effects. Relevant physical parameters such as acidity and solubility are treated. A series of biologically active molecules are treated with respect to structure (tautomerism). Characteristic molecules or groups of molecules are usnic acids, tetramic and tetronic acids, o-hydroxydibenzoylmethanes, curcumines, lupulones, and hyperforines.

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