An integrated approach to the design of thromboxane A2 receptor antagonists
DOI:
https://doi.org/10.15407/dopovidi2014.09.103Keywords:
antagonists, thromboxane A2 receptorAbstract
Two approaches were used for the design of novel promising antagonists of thromboxane A2 receptors. They are based on the usage of pharmacophore models and molecular field similarity models. 223 new compounds were designed overall. Five promising antagonists of thromboxane A2 receptors were selected by earlier obtained QSAR and pharmacophore models for the further synthesis and experimental testing.
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Patrono C., Ciabattoni G., Davi G. Stroke, 1990, 21: 130–133.
FitzGerald G. A. Am. J. Cardiol., 1991, 68(7): 11B – 15B. https://doi.org/10.1016/0002-9149(91)90379-Y
Serebruany V. L., Steinhubl S. R., Berger P. B. et al. Am. J. Cardiol., 2005, 15; 95(10): 1218–1222.
Gresele P., Arnout J., Deckmyn H. et al. J. Clin. Invest., 1987, 80(5): 1435–1445. https://doi.org/10.1172/JCI113223
Bousser M. G., Amarenco P., Chamorro A. et al. Lancet, 2011, 11: 2013. – 2022.
Gaulton A., Bellis L. J., Bento A. P. et al. Nucleic Acids Research, 2012, 40: D1100–D1107. https://doi.org/10.1093/nar/gkr777
Breiman L. Machine Learning, 2001, 45(1): 5–32. https://doi.org/10.1023/A:1010933404324
Polishchuk P. G., Muratov E. N., Artemenko A. G. et al. J. Chem. Inf. and Model., 2009, 49(11): 2481–2488. https://doi.org/10.1021/ci900203n
Kuz’min V. E., Artemenko A. G., Polischuk P. G. et al. J. Molec. Model., 2005, 11: 457–467. https://doi.org/10.1007/s00894-005-0237-x
Solov’ev V. P., Varnek A., Wipff G. J. Chem. Inf. Comput. Sci., 2000, 40(3): 847–858. https://doi.org/10.1021/ci9901340
Bonachera F., Parent B., Barbosa F. et al. J. Chem. Inf. and Model., 2006, 27; 46(6): 2457–2477.
Tetko I. V., Solov’ev V. P., Antonov A. V. et al. J. Chem. Inf. and Model., 2006, 46(2): 808–819. https://doi.org/10.1021/ci0504216
Wolber G., Langer T. J. Chem. Inf. and Model., 2005, 45(1): 160–169. https://doi.org/10.1021/ci049885e
FieldAlign.3.0.1 ed. Welwyn Garden City, Hertfordshire, UK, 2010.
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