dc.contributor.author | Frau, Juan | |
dc.contributor.author | Glossman-Mitnik, Daniel | |
dc.date.accessioned | 2024-07-11T09:07:33Z | |
dc.date.available | 2024-07-11T09:07:33Z | |
dc.date.issued | 2017-02 | |
dc.identifier.citation | Frau J, Glossman-Mitnik D. Chemical Reactivity Theory Study of Advanced Glycation Endproduct Inhibitors. Molecules. 2017 Feb;22(2):226. | en |
dc.identifier.issn | 1420-3049 | |
dc.identifier.other | http://hdl.handle.net/20.500.13003/9958 | |
dc.identifier.uri | http://hdl.handle.net/20.500.12105/20408 | |
dc.description.abstract | 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. | en |
dc.description.sponsorship | This work has been partially supported by CIMAV, SC and Consejo Nacional de Ciencia y Tecnologia (CONACYT, Mexico) through Grant 219566/2014 for Basic Science Research and Grant 265217/2016 for a Foreign Sabbatical Leave. Daniel Glossman-Mitnik conducted this work while a Sabbatical Fellow at the University of the Balearic Islands from which support is gratefully acknowledged. This work was cofunded by the Ministerio de Economia y Competitividad (MINECO) and the European Fund for Regional Development (FEDER) (CTQ2014-55835-R). | es_ES |
dc.language.iso | eng | en |
dc.publisher | Multidisciplinary Digital Publishing Institute (MDPI) | en |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | * |
dc.subject | Diabetes | |
dc.subject | Alzheimer | |
dc.subject | AGEs inhibitors | |
dc.subject | Computational chemistry | |
dc.subject | Molecular modeling | |
dc.subject | Conceptual DFT | |
dc.subject | Chemical reactivity theory | |
dc.subject.mesh | Molecular Structure | * |
dc.subject.mesh | Drug Design | * |
dc.subject.mesh | Models, Molecular | * |
dc.subject.mesh | Glycation End Products, Advanced | * |
dc.subject.mesh | Humans | * |
dc.subject.mesh | Models, Chemical | * |
dc.subject.mesh | Algorithms | * |
dc.title | Chemical Reactivity Theory Study of Advanced Glycation Endproduct Inhibitors | en |
dc.type | research article | en |
dc.rights.license | Attribution 4.0 International | * |
dc.identifier.pubmedID | 28157169 | es_ES |
dc.format.volume | 22 | es_ES |
dc.format.number | 2 | es_ES |
dc.format.page | 226 | es_ES |
dc.identifier.doi | 10.3390/molecules22020226 | |
dc.relation.publisherversion | https://dx.doi.org/10.3390/molecules22020226 | en |
dc.identifier.journal | Molecules | es_ES |
dc.rights.accessRights | open access | en |
dc.subject.decs | Productos Finales de Glicación Avanzada | * |
dc.subject.decs | Modelos Químicos | * |
dc.subject.decs | Modelos Moleculares | * |
dc.subject.decs | Humanos | * |
dc.subject.decs | Algoritmos | * |
dc.subject.decs | Estructura Molecular | * |
dc.subject.decs | Diseño de Fármacos | * |
dc.identifier.scopus | 2-s2.0-85014013050 | |
dc.identifier.wos | 395552400040 | |
dc.identifier.pui | L616202541 | |