期刊
PHARMACEUTICALS
卷 14, 期 11, 页码 -出版社
MDPI
DOI: 10.3390/ph14111189
关键词
tautomerism; biological effects; structure determinations; DFT calculations; SAR
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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