Relationship of Wiener's index and adjacent eccentric distance sum index with nitroxide free radicals and their precursors as modifiers against oxidative damage

Journal of Molecular Structure: THEOCHEM

Volumn 624, Issue 1-3, 2003, Pages 53-59

  Sardana, S ^a   Madan, A K ^b  

^a Hindu College   (India)

^b MAHARSHI DAYANAND UNIVERSITY   (India)

Author keywords

Adjacent eccentric distance sum index; Antioxidant activity; Free radicals; Structure activity relationship; Wiener's index

Indexed keywords

AMINE; FREE RADICAL; HYDROXYLAMINE; NITROXIDE;

ANTIOXIDANT ACTIVITY; ARTICLE; CHEMICAL ANALYSIS; MATHEMATICAL MODEL; MOLECULAR DYNAMICS; RESPIRATORY BURST; STRUCTURE ACTIVITY RELATION;

EID: 0037466327     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(02)00737-6     Document Type: Article

References (27)

1. V.K. Devi, F. Rehman, Nutraceutical antioxidants - an overview, Indian J. Pharm. Edu. 36 (1) (2002) 3-8.
2. M. Ajitha, K. Rajnarayana, Role of oxygen free radicals in human disease, Indian Drugs 38 (11) (2001) 545-554.
3. M.C. Krishna, W. DeGraff, O.H. Hankovazky, C.P. Sar, T. Kalai, J. Jeko, A. Russo, J.R. Mitchell, K. Hideg, Studies of structure-activity relationship of nitroxide free radicals and their precursors as modifiers against oxidative damage, J. Med. Chem. 41 (1998) 3477-3492.
4. L.B. Kier, L.H. Hall, Molecular Connectivity in Sturcture Activity Analysis, Research Studies Press Ltd, Letchworth, 1986, pp. 1-257.
5. N. Trinajstic, Chemical Graph Theory, Vols. I/lI, CRC Press, Boca Raton, 1983.
6. A.T. Balaban, I. Motoc, D. Bonchev, O. Mekennyan, Topological indices for structure activity correlations, Top. Curr. Chem. 114 (1983) 21-55.
7. S.C. Basak, S. Burtlsen, G.D. Grunwold, Application of graph theoretical parameters in quantifying molecular similarity and structure activity relationships, J. Chem. Inf. Comput. Sci. 34 (1994) 270-276.
8. M. Randic, On characterization of molecular branching, J. Am. Chem. Soc. 97 (1975) 6609-6615.
9. H. Hosoya, Topological index; newly proposed quantity characterizing the topological nature of structure of isomers of saturated hydrocarbons, Bull. Chem. Soc. Jpn 44 (1971) 2332-2337.
10. H. Hosoya, Topological index as strong sorting device for coding chemical structure, J. Chem. Doc. 12 (1972) 181-183.
11. A.T. Balaban, A. Chiriac, I. Motoc, Z. Simon, Steric fit in QSAR, Lect. Notes Chem. 15 (1980) 22-27.
12. A.T. Balaban, Highly discriminating distance based topological index, Chem. Phys. Lett. 89 (1982) 399-404.
13. A.T. Balaban, Applications of graph theory in chemistry, J. Chem. Inf. Comput. Sci. 25 (1985) 334-343.
14. A.T. Balaban, P. Filip, Computer programme for topological index J (average distance sum connectivity), J. Math. Chem. 16 (1984) 163-190.
15. V. Sharma, R. Goswami, A.K. Madan, Eccentric connectivity index; a novel highly discriminating topological descriptor for structure property and structure activity studies, J. Chem. Inf. Comput. Sci. 37 (1997) 273-282.
16. I. Gutman, B. Russic, N. Trinajstic, C.F. Wicox, C.F. Wicox Jr, Graph theory and molecular orbitals. XII. acyclic polyenes, J. Chem. Phys. 62 (1975) 3399-3405.
17. I. Gutman, M. Randic, Algebric characterization of skeletal branching, Chem. Phys. Lett. 47 (1977) 15-19.
18. A. Sabljic, N. Trinajstic, Quantitative structure activity relationships; The role of topological indices, Acta Pharm. Jugsol. 31 (1981) 189-214.
19. D.H. Rouvray, The limits of applicability of topological indices, J. Mol. Struct. (THEOCHEM) 185 (1989) 187-201.
20. J. Galvez, R. Garcia-Domenec, J.N. Dejulian-Ortiz, R. Soler, Topological approach to drug design, J. Chem. Inf. Comput. Sci. 35 (1995) 272-284.
21. H. Wiener, Correlation of heat of isomerization and difference in heat of vaporization of isomers among paraffin hydrocarbons, J. Am. Chem. Soc. 69 (1947) 2636-2638.
22. H. Wiener, Influence of interatomic forces on paraffin properties, J. Chem. Phys. 15 (1947) 766.
23. H. Wiener, Vapour-pressure-temperature relations among the branched paraffin hydrocarbons, J. Chem. Phys. 15 (1948) 425-430.
24. H. Wiener, Relationship of physical properties of isomeric alkanes to molecular structure, surface tension, specific dispersion and critical solution temperature in aniline, J. Phys. Colloid. Chem. 52 (1948) 1082-1089.
25. M. Randic, X. Guo, T. Oxely, H. Krishnapriyan, Wiener matrix; source of novel graph invariants, J. Chem. Inf. Comput. Sci. 33 (1993) 709-716.
26. M. Randic, X. Guo, T. Oxely, H. Krishnapriyan, L. Naylor, Wiener matrix invariants, J. Chem. Inf. Comput. Sci. 34 (1994) 361-367.
27. S. Sardana, A.K. Madan, Predicting anti-HIV activity of TIBO derivatives: computational approach using novel topological descriptor, Journal of Mol. Modeling 8 (2002) 258-265.