scholarly journals Chemical Reactivity Theory Study of Advanced Glycation Endproduct Inhibitors

Molecules ◽  
2017 ◽  
Vol 22 (2) ◽  
pp. 226 ◽  
Author(s):  
Juan Frau ◽  
Daniel Glossman-Mitnik
Keyword(s):  
Chemical Reactivity ◽  
Advanced Glycation ◽  
Advanced Glycation Endproduct ◽  
Chemical Reactivity Theory

scholarly journals Chemical Reactivity Theory and Empirical Bioactivity Scores as Computational Peptidology Alternative Tools for the Study of Two Anticancer Peptides of Marine Origin

Molecules ◽  
2019 ◽  
Vol 24 (6) ◽  
pp. 1115 ◽  
Author(s):  
Juan Frau ◽  
Norma Flores-Holguín ◽  
Daniel Glossman-Mitnik
Keyword(s):  
Chemical Reactivity ◽  
Molecular Structures ◽  
Reactivity Descriptors ◽  
Molecular Systems ◽  
Empirical Procedure ◽  
Therapeutic Drugs ◽  
Advanced Glycation Endproduct ◽  
Chemical Reactivity Theory ◽  
Age Inhibition ◽  
Global And Local

This work presents an account of the reactivity behavior of the anticancer marine drugs, Soblidotin and Tasidotin, based on the calculation of the global and local descriptors resulting from Chemical Reactivity Theory (CRT), also known as Conceptual DFT, for their consideration as a useful complement to approximations based on Molecular Docking. The information on the global and local reactivity descriptors of the Soblidotin and Tasidotin molecules, obtained through our proposed methodology, may be used for the design of new pharmaceutical analogs by relying on the chemical interactions between these peptides and their protein-type biological receptors. It can be concluded that the CRT approximation to the global and local chemical reactivity, based on the descriptors, can provide interesting information for the consideration of both molecules as potential therapeutic drugs. This is complemented by a study on Advanced Glycation Endproduct (AGE) inhibition, by comparison with the usual molecular systems considered for the task, as a re-purposing study. Finally, the bioactivity scores for Soblidotin and Tasidotin are predicted through an empirical procedure, based on comparison with molecular structures with well-known pharmacological properties.

Effects of alagebrium, an advanced glycation endproduct breaker, on exercise tolerance and cardiac function in patients with chronic heart failure

2011 ◽  
Vol 13 (8) ◽  
pp. 899-908 ◽  
Author(s):  
Jasper W.L. Hartog ◽  
Suzan Willemsen ◽  
Dirk J. van Veldhuisen ◽  
Jan L. Posma ◽  
Leen M. van Wijk ◽  
...  
Keyword(s):  
Heart Failure ◽  
Chronic Heart Failure ◽  
Cardiac Function ◽  
Exercise Tolerance ◽  
Advanced Glycation ◽  
Advanced Glycation Endproduct

scholarly journals Inhibition of advanced glycation endproduct formation by acetaldehyde: Role in the cardioprotective effect of ethanol

1999 ◽  
Vol 96 (5) ◽  
pp. 2385-2390 ◽  
Author(s):  
Y. Al-Abed ◽  
T. Mitsuhashi ◽  
H. Li ◽  
J. A. Lawson ◽  
G. A. FitzGerald ◽  
...  
Keyword(s):  
Cardioprotective Effect ◽  
Advanced Glycation ◽  
Advanced Glycation Endproduct

A Novel Type of Advanced Glycation Endproduct Found in Diabetic Rats

2005 ◽  
pp. 434
Author(s):  
Toshihiko Osawa ◽  
Tomoko Oya ◽  
Harue Kumon ◽  
Yasujiro Morimitsu ◽  
Hiroyuki Kobayashi ◽  
...  
Keyword(s):  
Diabetic Rats ◽  
Advanced Glycation ◽  
Advanced Glycation Endproduct

Local chemical potential, local hardness, and dual descriptors in temperature dependent chemical reactivity theory

2017 ◽  
Vol 19 (21) ◽  
pp. 13687-13695 ◽  
Author(s):  
Marco Franco-Pérez ◽  
Paul W. Ayers ◽  
José L. Gázquez ◽  
Alberto Vela
Keyword(s):  
Chemical Potential ◽  
Chemical Reactivity ◽  
Potential Well ◽  
Temperature Dependent ◽  
Local Hardness ◽  
Chemical Reactivity Theory ◽  
Definition Of

From the definition of a local chemical potential, well-behaved expressions for the local hardness and the dual descriptors are derived.

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