Quantitative structure activity relationship (QSAR) of N 6-substituted adenosine receptor agonists as potential antihypertensive agents

Medicinal Chemistry Research

Volumn 20, Issue 9, 2011, Pages 1643-1649

  Paliwal, Sarvesh ^a   Das, Sucheta ^a   Yadav, Divya ^a   Saxena, Manyata ^a   Paliwal, Shailendra ^a  

^a BANASTHALI UNIVERSITY   (India)

Author keywords

MLR; N6 Substituted adenosine receptor agonists; PLS; QSAR; TSAR

Indexed keywords

ADENOSINE RECEPTOR STIMULATING AGENT; ANTIHYPERTENSIVE AGENT;

ANTIHYPERTENSIVE ACTIVITY; CONFERENCE PAPER; ELECTRONICS; LIPOPHILICITY; NUCLEAR ENERGY; QUANTITATIVE ANALYSIS; STRUCTURE ACTIVITY RELATION; SUBSTITUTION REACTION;

EID: 84856229634     PISSN: 10542523     EISSN: 15548120     Source Type: Journal    
DOI: 10.1007/s00044-010-9478-z     Document Type: Conference Paper

References (25)

1. Burnstock G (1972) Purinergic nerves. Pharmacol Rev 24:509-581
2. Cramer RD (1993) Partial least squares (PLS): Its strengths and limitations. Perspect Drug Discov Des 1:269-278
3. Cronin MTD, Schultz TW (2001) Development of quantitative structure-activity relationships for the toxicity of aromatic compounds to Tetrahymena pyriformis: Comparative assessment of the methodologies. Chem Res Toxicol 14:1284-1295 (Pubitemid 32911469)
4. Dessalew N (2007) QSAR study on aminophenylbenzamides and acrylamides as histone deacetylase inhibitors: An insight into the structural basis of antiproliferative activity. Med Chem Res 16:449-460
5. Fries ED (1960) Hemodynamics of hypertension. Physiol Rev 40:27-54
6. Hansch C, Fujita T (1964) p-r-p Analysis, a method for the correlation of biological activity and chemical structure. J Am Chem Soc 86:1616-1626
7. Hoffman B, Cho SJ, Zheng W, Wyrick S, Nichols DE, Mailman RB, Tropsha A (1999) Quantitative structure-activity relationship modeling of dopamine D1 antagonists using comparative molecular field analysis, genetic algorithms-partial least-squares, and k nearest neighbor methods. J Med Chem 42:3217-3226 (Pubitemid 29409711)
8. Hoogenstraaten W, Tipker J, Verloop A (1976) Development and application of new steric substituent parameters. In: Ariens EJ (ed) Drug design. Academic Press, New York, pp 165-207
9. Jacobson KA, Van Galen PJM, Williams M (1992) Adenosine receptors: Pharmacology, structure-activity relationships and therapeutic potential. J Med Chem 35:407-422
10. Karelson M (2000) Molecular descriptors in QSAR/QSPR. Wiley Interscience, New York (February)
11. Klocker J, Wailzer B, Buchbauer G, Wolschann P (2002) Bayesian neural networks for aroma classification. J Chem Inf Comput Sci 42:1443-1449 (Pubitemid 35468333)
12. Kovatcheva A, Buchbauer G, Golbraikh A, Wolschann P (2003) QSAR modeling of alpha campholenic derivatives with sandalwood odor. J Chem Inf Comput Sci 43:259-266
13. Kubinyi H (1997) QSAR and 3D-QSAR in drug design part 1: Methodology. Drug Discov Today 2:457-467 (Pubitemid 27450428)
14. Muller G, Sandow J, Scholkens BA, Vogel WF, Vogel WH, (2002) Drug discovery and evaluation, pharmacological assays, 2nd edn. Springer, Berlin, pp 40-41
15. Olsson RA, Pearson JC (1990) Cardiovascular purinoceptors. Pharmacol Rev 70:761-845 (Pubitemid 20196050)
16. Paliwal S, Narayan A, Paliwal S (2009) Quantitative structure activity relationship analysis of dicationic diphenylisoxazole as potent anti-trypanosomal agents. QSAR Comb Sci 28:1367-1375
17. Paliwal SK, Pal M, Siddiqui AA (2010) Quantitative structure activity relationship analysis of angiotensin II AT1 receptor antagonists. Med Chem Res 19:475-489
18. Sattin A, Rall TW (1970) The effect of adenosine and adenine nucleotides on the adenosine 30,50-phosphate content of guinea pig cerebral cortical slices. Mol Pharmacol 6:13-17
19. Shen M, LeTiran A, Xiao Y, Golbraikh A, Kohn H, Tropsha A (2002) Quantitative structure activity relationship analysis of functionalized amino acid anticonvulsant agents using k nearest neighbor and simulated annealing PLS methods. J Med Chem 45:2811-2823 (Pubitemid 34627651)
20. Tipker J, Verloop A (1976) Use of linear free energy related and other parameters in the study of fungicidal selectivity. Pest Sci 7:379-390
21. Tipker J, Verloop A (1977) Comparative study of new parameters in drug design. In: Keverling Buisman JA (ed) Biological activity and chemical structure. Elsevier, Amsterdam, pp 63-81
22. Trivedi BK, Blankley CJ, Bristol JA, Hamilton HW, Patt WC, Kramer WJ, Johnson SA, Bruns RF, Cohen DM, Ryan MJ (1991) N6-Substituted adenosine receptor agonists: Potential antihypertensive agents. J Med Chem 34:1043-1049
23. Van Calker D, Müller M, Hamprecht B (1978) Adenosine inhibits the accumulation of cyclic AMP in cultured brain cells. Nature 276:839-884
24. Vinter JG, Davis A, Saunders MR (1987) Strategic approaches to drug design, I. An integrated software framework for molecular modeling. J Comput Aided Mol Des 1:31-51
25. Yoshikawa M, Fujita H, Matoba N, Takenaka Y, Yamamoto T, Yamauchi R, Tsuruki H, Takahata K (2000) Bioactive peptides derived from food proteins preventing lifestyle-related diseases. Biofactors 12:143-146 (Pubitemid 32107398)