Theoretical elucidation of structure-antioxidant activity relationships for thiazolidinone derivatives

Quantitative Structure-Activity Relationships

Volumn 20, Issue 2, 2001, Pages 139-142

  Sun, You Min ^a,b   Wang, Xiu Li ^b   Zhang, Hong Yu ^a,b   Chen, De Zhan ^b  

^a Zibo University   (China)

^b SHANDONG NORMAL UNIVERSITY   (China)

Author keywords

Antioxidant; O H bond dissociation energy; Quantum chemical calculation; Structure activity relationship; Thiazolidinone derivatives

Indexed keywords

BOND STRENGTH (CHEMICAL); DISSOCIATION; FREE RADICALS; PHENOLS; QUANTUM CHEMISTRY;

ANTIOXIDANT ACTIVITIES; BOND DISSOCIATION ENERGIES; CA 2+; O-H BOND; O-H BOND DISSOCIATION ENERGY; QUANTUM CHEMICAL CALCULATIONS; QUANTUM-CHEMICAL CALCULATION; STRUCTURE-ACTIVITY RELATIONSHIPS; THIAZOLIDINONE; THIAZOLIDINONE DERIVATIVE;

ANTIOXIDANTS;

PHENOL DERIVATIVE; THIAZOLIDINE DERIVATIVE;

ANTIOXIDANT ACTIVITY; ARTICLE; DRUG STRUCTURE; HEART PROTECTION; HYDROGEN BOND; PRIORITY JOURNAL; QUANTUM CHEMISTRY; STRUCTURE ACTIVITY RELATION;

EID: 0034878692     PISSN: 09318771     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3838(200107)20:2<139::AID-QSAR139>3.0.CO;2-7     Document Type: Article

References (22)

1. Novel calcium antagonists with both calcium overload inhibition and antioxidant activity. 2. Structure-activity relationships of thiazolidinone derivatives
2. Novel calcium antagonists with both calcium overload inhibition and antioxidant activity. 1. 2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(aminopropyl)thiazolidinones
3. The protective effects of CP-060S on ischaemia- and reperfusion-induced arrhythmias in anaesthetized rats
4. CP-060S, a novel cardioprotective drug, limits myocardial infarct size in anesthetized dogs
5. Factors influencing the antioxidant activities of phenols by an Ab initio study
6. Molecular pharmacology of vitamin E: Structural aspects of antioxidant activity
7. Theoretical parameters to characterize antioxidants. Part 1. The case of vitamin E and analogs
8. Selection of theoretical parameter characterizing scavenging activity of antioxidants on free radicals
9. Quantitative structure-activity relationship analysis of phenolic antioxidants
10. Theoretical characterization and its application of free radical scavenging activity for phenolic antioxidants
11. Why static molecular parameters cannot characterize the free radical scavenging activity of phenolic antioxidants
12. Theoretical calculation of substituent effects on the O-H bond strength of phenolic antioxidants related to vitamin E
13. MMX. An enhanced version of MM2
14. AM1: A new general purpose quantum mechanical molecular model
15. Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields
16. Development of the Colle-Salvetti correlation energy formula into a functional of the electron density
17. A new mixing of Hartree-Fock and local density-functional theories
18. A computational analysis of substituent effects on the O-H bond dissociation energy in phenols: Polar versus radical effects
19. Assessment of the importance of changes in ground-state energies on the bond dissociation enthalpies of the O-H bonds in phenols and the S-H bonds in thiophenols
20. 3 bond dissociation energies in phenol and anisole
21. O-H bond dissociation energies of phenolic compounds are determined by field/inductive effect or resonance effect? A DFT study and its implication