Prediction of the agonist allosteric enhancer activity of thiophenes with respect to human A1 adenosine receptors using topological indices

Pharmaceutical Chemistry Journal

Volumn 41, Issue 3, 2007, Pages 140-145

  Kumar, V ^a   Madan, A K ^b  

^a MAHARSHI DAYANAND UNIVERSITY   (India)

^b NONE

Author keywords

[No Author keywords available]

Indexed keywords

ADENOSINE A1 RECEPTOR; THIOPHENE;

ACCURACY; ALLOSTERISM; ARTICLE; BIOLOGICAL ACTIVITY; DRUG STRUCTURE; ECCENTRIC CONNECTIVITY INDEX; ENZYME LOCALIZATION; PARAMETERS OF MEASUREMENT AND ANALYSIS; PREDICTION; WIENER INDEX; ZAGREB GROUP PARAMETER;

EID: 35148870097     PISSN: 0091150X     EISSN: 15739031     Source Type: Journal    
DOI: 10.1007/s11094-007-0031-4     Document Type: Article

References (54)

1. S. C. Basak, G. J. Niemi, and G. D. Veith, Computational Chemical Graph Theory, Nova Science, New York (1989).
2. S. C. Basak, D. P. Gieschen, D. K. Harriss, and V. R. Magnuson, J. Pharm. Sci., 72, 934-937 (1983).
3. S. C. Basak, Med. Sci. Res., 16, 281-282 (1988).
4. G. Klopman, and C. Raychaudhury, J. Comput. Chem., 9, 232-243 (1988).
5. C. Basak, D. P. Gieschen, and V. R. Magnuson, Environ. Toxicol. Chem., 3, 191-199 (1984).
6. M. Johnson, Graph Theory and Its Applications to Algorithms and Computer Science, Wiley, New York (1985).
7. M. Johnson, S. C. Basak, and G. Maggiora, Math. Comput. Model., 11, 630-634 (1988).
8. M. Randić, Computer Based Methods of Molecular Similarity, Wiley, New York (1989).
9. G. J. Niemi, R. R. Regal, and G. D. Veith, Environmental Applications of Chemometrics, J. J. Breen and P. E. Robinson (eds.), American Chemical Society, Washington, DC (1984).
10. S. C. Basak, G. J. Niemi, and G. D. Veith, J. Math. Chem., 4, 185-205 (1990).
11. S. C. Basak, Med. Sci. Res., 15, 605 (1987).
12. A. T. Balaban, Steric Fit in Quantitative Structure-Activity Relations, in: Lecture Notes in Chemistry, G. Berthier, M. J. S. Dewar, H. Fischer, et al. (eds.), Springer-Verlag, Berlin (1980).
13. D. H. Rouvray, J. Chem. Educ., 52, 768 (1975).
14. M. Bunge, Methods, Models and Matter, Reidel, Dordrecht-Boston (1973).
15. L. B. Kier and L. H. Hall, Molecular Connectivity in Structure -Activity Analysis, Research Studies Press, Letchworth, UK (1986).
16. C. Hansch, Advances in Pharmacology and Chemotherapy, S. Garattini, A. Goldin, F. Hawking, and I. J. Kopin (eds.), Academic Press, New York (1975).
17. N. Trinajstić, in: Chemical Graph Theory, CRC Press, Boca Raton, FL (1983).
18. H. Hosoya, Bull. Chem. Soc. Jpn., 44, 2332-2337 (1971).
19. H. Hosoya, J. Chem. Doc., 12, 181-183 (1972).
20. M. Randić, J. Am. Chem. Soc., 97, 6609-6615 (1974).
21. G. W. Kauffman and P. C. Jurs, J. Chem. Inf. Comput. Sci., 41, 1553-1560 (2001).
22. S. Gupta, M. Singh, and A. K. Madan, J. Chem. Inf. Comput. Sci. 39, 272-277 (1999).
23. A. T. Balaban, J. Chem. Inf. Comput. Sci., 25, 334-343 (1985).
24. A. T. Balaban and L. B. Quinar, J. Math. Chem., 14, 163-233 (1983).
25. H. Wiener, J. Chem. Phys., 15, 766-766 (1974).
26. H. Wiener, J. Am. Chem. Soc., 69, 2636-2638 (1947).
27. M. Randić, X. Guo, T. Oxely, and H. Krishnapriyan, J. Chem. Inf. Comput. Sci., 33, 709-716 (1993).
28. S. Gupta, M. Singh, and A. K. Madan, J. Computer-Aided Mol. Design., 15, 671-678 (2001).
29. I. Gutman and M. Randić, Chem. Phys. Lett., 47, 15-19 (1977).
30. I. Gutman, B. Ruscić, N. Trinajstić, and C. F. Wilcox, J. Chem. Phys., 62, 3399-3405 (1975).
31. V. Sharma, R. Goswami, and A. K. Madan, J. Chem. Inf. Comput. Sci., 37, 273-282 (1997).
32. S. Gupta, M. Singh, and A. K. Madan, J. Math. Anal. App., 266, 259-268 (2002).
33. S. Sardana and A. K. Madan, MATCH: Commun. Math. Comput. Chem., 45, 36-53 (2002).
34. S. Sardana and A. K. Madan, J. Computer-Aided Mol. Des., 16, 1-6 (2002).
35. S. Sardana and A. K. Madan, MATCH: Commun. Math. Comput. Chem., 43, 85-98 (2001).
36. S. Sardana and A. K. Madan, J. Mol. Model., 8, 258-265 (2002).
37. S. Sardana and A. K. Madan, J. Mol. Struct. (Theochem), 638, 41-49 (2003).
38. V. Kumar and A. K. Madan, MATCH: Commun. Math. Comput. Chem., 51, 59-78 (2004).
39. C. E. Tranberg, A. Zickgraf, B. N. Giunta, et al., J. Med. Chem., 45, 382-389 (2002).
40. T. Porkka-Heiskanen, Ann. Med., 31, 125-129 (1999).
41. N. Jain, N. Kemp, O. Adeyemo, et al., Br. J. Pharmacol., 116, 2127-2133 (1995).
42. N. T. Brockwell and R. J. Beninger, Behav. Pharmacol., 7, 373-383 (1996).
43. A. Sidi, R. Wesley, R. Barrett, et al., Cardiovasc. Res., 28, 621-628 (1994).
44. D. K. J. E. Von Lubitz and K. A. Jacobson, Adenosine and Adenine Nucleotides, in: From Molecular Biology to Integrative Physiology, L. Bellardinelli and A. Pelleg (eds.), Nijhoff, Boston (1995).
45. K. A. Jacobson, O. Nikodijević, X.-O. Ji, et al., J. Med. Chem., 35, 4143-4149 (1992).
46. M. Suzuki, J. Shimada, H. Mizumote, et al., J. Med. Chem., 35, 3066-3075 (1992).
47. M. A. Beaven, V. Ramkumar, and H. Ali, Trends Pharmacol. Sci., 15, 13-14 (1994).
48. M. Williams, Neurochem. Intern., 14, 249-264 (1989).
49. S. Gupta, M. Singh, and A. K. Madan, J. Computer-Aided Mol. Des., 15, 671-678 (2001).
50. S. C. Basak, A. T. Balaban, G. D. Grunwald, and B. D. Gute, J. Chem. Inf. Comput. Sci., 40, 891-898 (2000).
51. C. A. Kollias-Baker, J. Ruble, M. Jacobson, et al., J. Pharmacol. Exp. Ther., 281, 761-768 (1997).
52. C. Kollias-Baker, J. Ruble, D. Dennis, et al., Circ. Res., 75, 961-971 (1994).
53. R. V. Mudumbi, S. C. Montamat, R. F. Bruns, and R. E. Vestal, Am. J. Physiol., 264, 1017-1022 (1993).
54. K. A. Jacobson, P. J. M. Galen, and M. Williams, J. Med. Chem., 35, 407-422 (1992).