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oai:repisalud.isciii.es:20.500.12105/204082024-11-28T22:05:55Zcom_20.500.12105_15322com_20.500.12105_2051col_20.500.12105_16967

00925njm 22002777a 4500 dc Frau, Juan author Glossman-Mitnik, Daniel author 2017-02 Several compounds with the known ability to perform as inhibitors of advanced glycation endproducts (AGE) have been studied with Density Functional Theory (DFT) through the use of a number of density functionals whose accuracy has been tested across a broad spectrum of databases in Chemistry and Physics. The chemical reactivity descriptors for these systems have been calculated through Conceptual DFT in an attempt to relate their intrinsic chemical reactivity with the ability to inhibit the action of glycating carbonyl compounds on amino acids and proteins. This knowledge could be useful in the design and development of new drugs which can be potential medicines for diabetes and Alzheimer's disease. Frau J, Glossman-Mitnik D. Chemical Reactivity Theory Study of Advanced Glycation Endproduct Inhibitors. Molecules. 2017 Feb;22(2):226. 10.3390/molecules22020226 1420-3049 Molecules http://hdl.handle.net/20.500.13003/9958 28157169 L616202541 2-s2.0-85014013050 http://hdl.handle.net/20.500.12105/20408 395552400040 Diabetes Alzheimer AGEs inhibitors Computational chemistry Molecular modeling Conceptual DFT Chemical reactivity theory Chemical Reactivity Theory Study of Advanced Glycation Endproduct Inhibitors