2026-06-14T03:18:12Zhttps://repisalud.isciii.es/rest/oai/requestoai:repisalud.isciii.es:20.500.12105/204082024-11-28T22:05:55Zcom_20.500.12105_15322com_20.500.12105_2051col_20.500.12105_16967
Repisalud
author
Frau, Juan
author
Glossman-Mitnik, Daniel
2024-07-11T09:07:33Z
2024-07-11T09:07:33Z
2017-02
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
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.
eng
Diabetes
Alzheimer
AGEs inhibitors
Computational chemistry
Molecular modeling
Conceptual DFT
Chemical reactivity theory
Chemical Reactivity Theory Study of Advanced Glycation Endproduct Inhibitors
research article