Theoretical investigation of quercetin and its radical isomers

Journal of Molecular Structure: THEOCHEM

Volumn 631, Issue 1-3, 2003, Pages 141-146

  Erkoç, Şakir ^a   Erkoç, Figen ^b   Keskin, Nevin ^c  

^a MIDDLE EAST TECHNICAL UNIVERSITY   (Turkey)

^b GAZI UNIVERSITY   (Turkey)

^c HACETTEPE UNIVERSITY   (Turkey)

Author keywords

Antioxidant; Quercetin; Semi empirical Austin Model 1 method

Indexed keywords

QUERCETIN;

ARTICLE; CHEMICAL STRUCTURE; GEOMETRY; ISOMERISM; MOLECULAR DYNAMICS; MOLECULAR ORBITAL THEORY CALCULATION; STRUCTURE ANALYSIS;

EID: 0041766126     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(03)00237-9     Document Type: Article

References (54)

1. N. Bhatia, C. Agarwal, R. Agarwal, Nutr. Cancer 39 (2001) 292.
2. B. Hausteen, Biochem. Pharmacol. 32 (1983) 1141.
3. E. Middleton, C. Kandoswani, Biochem. Pharmocol. 43 (1992) 1167.
4. C.A. Rice-Evans, N.J. Miller, P.G. Bolwell, P.M. Bramley, J.B. Pridham, Free Rad. Res. 22 (1985) 375.
5. A. Arora, M.G. Nair, G.M. Strasburg, Free Rad. Biol. Med. 24 (1998) 1355.
6. A. Saija, M. Scalese, M. Lanza, D. Marzullo, F. Bonina, F. Castelli, Free Rad. Biol. Med. 19 (1995) 481.
7. L. Movileanu, I. Neagoe, M.L. Flonta, Int. J. Pharm. 205 (2000) 135.
8. J.S. Choi, H.Y. Chung, S.S. Kang, M.J. Jung, J.W. Kim, J.K. No, H.A. Jung, Phytother. Res. 16 (2002) 232.
9. C.L. Miranda, J.F. Stevens, V. Ivanov, M. McCall, B. Frei, M.L. Deinzer, D.R. Buhler, J. Agric. Food Chem. 48 (2000) 3876.
10. J. Terao, M. Piskuli, Q. Yao, Arch. Biochem. Biophys. 308 (1994) 278.
11. C. De-Walley, S.M. Rankin, J.R.S. Hoult, W. Jessup, D.S. Leake, Biochem. Pharmacol. 39 (1990) 1743.
12. S.A.B.E. van Acker, M.J. de Groot, D.-J. van den Berg, M.N.J.L. Tromp, G.D.-O. den Kelder, W.J.F. van der Vijgh, A. Bast, Chem. Res. Toxicol. 9 (1996) 1305.
13. S.A.B.E. van Acker, D.-J. van den Berg, M.N.J.L. Tromp, D.H. Griffioen, W.P. van Bennekom, W.J.F. van der Vijgh, A. Bast, Free Rad. Biol. Med. 20 (1996) 331.
14. S.A. Aherne, N.M. O'Brien, Free Rad. Biol. Med. 29 (2000) 507.
15. A. Damianaki, E. Bakogeorgou, M. Kampa, G. Notas, A. Hatzoglou, S. Panagiotou, C. Gemetzi, E. Kouroumalis, P.M. Martin, E. Castanas, J. Cell Biochem. 78 (2000) 429.
16. M.E. Bodini, G. Copia, R. Tapia, F. Leighton, L. Herrera, Polyhedron 18 (1999) 2233.
17. C. Zhao, Y. Shi, W. Wang, W. Lin, B. Fan, Z. Jia, S. Yao, R. Zheng, Radiat. Phys. Chem. 63 (2002) 137.
18. Z. Zhu, C. Li, N.-Q. Li, Microchem. J. 71 (2002) 57.
19. M.C.W. Myhrstad, H. Carlsen, O. Nordstrom, R. Blomhoff, J.O. Moskaug, Free Rad. Biol. Med. 32 (2002) 386.
20. G. Galati, M.Y. Moridani, T.S. Chan, P.J. O'Brien, Free Rad. Biol. Med. 30 (2001) 370.
21. J.A. Vinson, J. Jang, J. Yang, Y. Dabbagh, X. Liang, M. Serry, J. Proch, S. Cai, J. Agric. Food Chem. 47 (1999) 2502.
22. I. Tadesco, M. Russo, P. Russo, G. Iacomino, G.L. Russo, A. Carraturo, C. Faruolo, L. Moio, R. Palumbo, J. Nutr. Biochem. 11 (2000) 114.
23. Ş. Erkoç, M. Yilmazer, F. Erkoç, J. Mol. Struct. (Theochem) 583 (2002) 169.
24. M. Kampa, A. Hatzoglou, G. Notas, A. Damianaki, E. Bakogeorgou, C. Gemetzi, E. Kouroumalis, P.-M. Martin, E. Castonas, Nutr. Cancer 37 (2000) 223.
25. I.K. Wang, S.Y. Lin-Shiau, J.K. Lin, Eur. J. Cancer 35 (1999) 1517.
26. M. Ritcher, R. Ebermann, B. Marian, Nutr. Cancer 34 (1999) 88.
27. A.R. Collins, BioEssays 21 (1999) 238.
28. W. Li, F. Shen, G. Weber, Oncol. Res. 11 (1999) 243.
29. Y.T. Huang, J.J. Hwang, P.P. Lee, F.C. Ke, J.H. Huang, C.J. Huang, C. Kandaswami, E. Midleton, M.T. Lee, Br. J. Pharmacol. 128 (1999) 999.
30. G.J. Soleas, L. Grass, P.D. Josephy, D.M. Goldberg, E.P. Diamandis, Clin. Biochem. 35 (2002) 119.
31. S.C. Sahu, G.C. Gray, Food Chem. Toxicol. 35 (1997) 443.
32. G. Galati, O. Sabzevari, J.X. Wilson, P.J. O'Brien, Toxicology 177 (2002) 91.
33. R. Garcia, C.A. Gonzalez, A. Agudo, E. Riboli, Nutr. Cancer 35 (1999) 212.
34. M.J.T.J. Arts, G.R.M.M. Haenen, H.-P. Voss, A. Bast, Food Chem. Toxicol. 39 (2001) 787.
35. F. Alcocer, D. Whitley, J.F. Salazar-Gonzalez, W.D. Jordan, M.T. Sellers, D.E. Eckhoff, K. Suzuki, C. MacRae, K.I. Bland, Surgery 131 (2002) 198.
36. N. Russo, M. Toscano, N. Uccella, J. Agric. Food Chem. 48 (2000) 3232.
37. J.-P. Cornard, J.-C. Merlin, J. Mol. Struct. (Theochem) 569 (2001) 129.
38. A.-C. Boudet, J.-P. Cornard, J.-C. Merlin, Spectrochim. Acta A56 (2000) 829.
39. J.-P. Cornard, A.-C. Boudet, J.-C. Merlin, Spectrochim. Acta A57 (2001) 591.
40. J.-P. Cornard, A.-C. Boudet, J.-C. Merlin, J. Mol. Struct. 508 (1999) 37.
41. M. Meyer, Int. J. Quant. Chem. 76 (2000) 724.
42. G.K. Pereira, P.M. Donate, S.E. Galembeck, J. Mol. Struct. (Theochem) 363 (1996) 87.
43. C. Aleman, J. Mol. Struct. (Theochem) 528 (2000) 65.
44. T. Okajima, J. Mol. Struct. (Theochem) 536 (2001) 73.
45. F. Erkoç, Ş. Erkoç, J. Mol. Struct. (Theochem) 583 (2002) 163.
46. C.G.M. Heijnen, G.R.M.M. Haenen, J.A.J.M. Vekemans, A. Bast, Environ. Toxicol. Pharmacol. 10 (2001) 199.
47. U. Burkert, N.L. Allinger, Molecular Mechanics, ACS Monograph, 1982, pp. 177.
48. N.L. Allinger, J. Am. Chem. Soc. 99 (1977) 8127.
49. M.J.S. Dewar, E.G. Zoebisch, E.F. Healy, J.J.P. Stewart, J. Am. Chem. Soc. 107 (1985) 3902.
50. C.C.J. Roothaan, Rev. Mod. Phys. 23 (1951) 69.
51. P. Fletcher, Practical Methods of Optimization, Wiley, New York, 1990.
52. Hypercube, Inc., Gainesville, FL, USA
53. P.C. Yates, J. Mol. Struct. (Theochem) 231 (1991) 201.
54. J.S. Wright, E.R. Johnson, G.A. DiLabio, J. Am. Chem. Soc. 123 (2001) 1173.