Topological models for prediction of antihypertensive activity of substituted benzylimidazoles

Journal of Molecular Structure: THEOCHEM

Volumn 638, Issue 1-3, 2003, Pages 41-49

  Sardana, S ^a   Madan, A K ^b  

^a Hindu College   (India)

^b MAHARSHI DAYANAND UNIVERSITY   (India)

Author keywords

Antihypertensive activity; Eccentric connectivity index; Structure activity relationship; Wiener's index; Zagreb group parameter

Indexed keywords

1 BENZYLIMIDAZOLE;

ACCURACY; ANALYTIC METHOD; ANTIHYPERTENSIVE ACTIVITY; ARTICLE; CALCULATION; CHEMICAL STRUCTURE; COMPARATIVE STUDY; CORRELATION ANALYSIS; DRUG ACTIVITY; ECCENTRIC CONNECTIVITY INDEX; IC 50; MOLECULAR MODEL; PREDICTION; STRUCTURE ACTIVITY RELATION; WIENER INDEX; ZAGREB GROUP PARAMETER;

EID: 0346123167     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(03)00425-1     Document Type: Article

References (28)

1. Y.C. Martin, Quantitative Drug Design, Dekker Press, New York, 1978.
2. L.B. Kier, L.H. Hall, Molecular Connectivity in Structure Activity Analysis, Research Studies Press Ltd, Letchworth, England, 1986, pp. 1-257.
3. N. Trinajstic, In: Chemical Graph Theory, vols. I and II, CRC Press, Boca Raton, FL, 1983.
4. A.T. Balaban, I. Motoc, D. Bonchev, O. Mekennyan, Topological indices for structure activity correlations, Top. Curr. Chem. 114 (1983) 21-55.
5. 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.
6. 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.
7. H. Wiener, Influence of interatomic forces on paraffin properties, J. Chem. Phys. 15 (1947) 766.
8. H. Wiener, Vapour-pressure-temperature relations among the branched paraffin hydrocarbons, J. Chem. Phys. 15 (1948) 425-430.
9. 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.
10. M. Randic, On characterization of molecular branching, J. Am. Chem. Soc. 97 (1975) 6609-6615.
11. L.B. Kier, L.H. Hall, W.J. Murray, M. Randic, Molecular connectivity 1; relationship to non-specific local anaesthesia, J. Pharm. Sci. 64 (1975) 1971-1974.
12. 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.
13. H. Hosoya, Topological index as strong sorting device for coding chemical structure, J. Chem. Soc. 12 (1972) 181-183.
14. A.T. Balaban, A. Chiriac, I. Motoc, Z. Simon, Steric fit in QSAR, Lect. Notes Chem. 15 (1980) 22-27.
15. A.T. Balaban, Highly discriminating distance based topological index, Chem. Phys. Lett. 89 (1982) 399-404.
16. A.T. Balaban, Applications of graph theory in chemistry, J. Chem. Inf. Comput. Sci. 25 (1985) 334-343.
17. A.T. Balaban, P. Filip, Computer programme for topological index J (average distance sum connectivity), J. Math. Chem. 16 (1984) 163-190.
18. S. Sardana, A.K. Madan, Application of graph theory: relationship of antimycobacterial activity of quinolone derivatives with eccentric connectivity index and Zagreb group parameters, Commun. Math. Comput. Chem. 45 (2002).
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. S. Gupta, M. Singh, A.K. Madan, Eccentric distance sum: a novel graph invariant for predicting biological and physical properties, J. Math. Anal. Appl. 275 (2002) 386-401.
22. J.G. Gerber, A.S. Nies, Antihypertensive agents and the drug therapy of hypertension. In: Goodman and Gilman's The Pharmacological Basis of Therapeutics, Eighth ed., vol. 1, pp. 784-785, 1991.
23. I. Gutman, B. Russic, N. Trinajstic, C.F. Wicox Jr., Graph theory and molecular orbitals. XII. Acyclic polyenes, J. Chem. Phys. 62 (1975) 3399-3405.
24. I. Gutman, M. Randic, Algebric characterization of skeletal branching, Chem. Phys. Lett. 47 (1977) 15-19.
25. 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.
26. J.V. Duncia, A.T. Chiu, D.J. Carini, G.B. Gregory, A.L. Johnson, W.A. Price, G.J. Wells, P.C. Wong, J.C. Calabrese, P.B.M.W.M. Timmermans, The discovery of potent non-peptide angiotensin II receptor antagonists: a new class of potent antihypertensives, J. Med. Chem. 33 (1990) 1312-1329.
27. V.R. Solomon, R.K. Sharma, S.C. Chaturvedi, Angiotensin antagonists: as antihypertensive agents, The Indian Pharmacist 1 (4) (2002) 6-8.
28. M.A. Ondetti, B. Rubin, D.W. Cushman, Science 196 (1977) 441.