The studying of the correlation between diuretic, haemostatic, deprimic, analgetic and anti-inflammatory activities and toxicity of ε-carboxypentyl-amides R-benzenesulfonyloxamine acids derivatives and their molecules structure quantum-chemical parameters
The studying of the correlations between diuretic, haemostatic, deprimic, analgetic and ani-inflammatory activities and toxicity of 21 compounds s-carboxypentylamides R-benzenesulfonyloxamine acids derivatives and their molecules structure quantum-chemical parameters was carried out.
The regression equations obtained by means of statistical analysis allow to conclude that the geometry structure and electronic density distribution in the researched compounds molecules influence significantly on all kinds of their biological activity and toxicity. The influence of the boundary orbitals energies, molecules polarity and lypophylic properties of the compounds on their biological activity and toxicity is also observed.
2. Bunny IP, Kuznetsova VM, Boyko GA etc. // Topical issues in pharmaceutical and medical science and practice. - International scientific conference. - «History and prospects of development of pharmaceutical science and education». - Zaporizhzhia. - No. XII. - T. II. - 2004. - P. 4-10.
3. Bunny IP, Samura BA, Boyko AA and other // Medicines-human. - X .. - 2002. - T. 17. - № 1. - P. 69-71.
4. de Oliver D.B., Gaudio A.C. BuiltQSAR // Quant. Struct. - Act. Relat. - 2000. - Vol. 19. 6. P. 599-601.
5. Golbraikh A., Tropsha A. Beware of q2! // J. of Molecular Graphics and Modeling. - 2002. - Vol. 20. P. 269-276.
6. HyperChem 7.5 (HyperCube, Inc.) / http://www.hyper.com.
7. Peixun Liu, Wei Long. Current Mathematical Methods Used in QSAR / QSPR Studies // Int. J. Mol. Sci. - 2009. - Vol. 10. - P 1978-1998.
8. Saxena A.K., Prathipati P. Comparison of MLR, PLS and GA-MLR in QSAR analysis // SAR and QSAR in Environmental Research. - 2003. - Vol. 14 (5-6). P. 433-445.
9. Yap C.W.,. Li H, Ji Z.L., Chen Y.Z .. Regression Methods for Developing QSAR and QSPR Models to Predict Compounds of Specific Pharmacodynamic, Pharmacokinetic and Toxicological Properties. / / Mini¬Reviews in Medicinal Chemistry. - 2007. - Vol. 7. P. 1097-1107.
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