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Медико-биологический
информационный портал
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для специалистов |
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Vol. 12, Art. 81 (pp. 980-989) | 2011
Prediction of drug binding to serum albumin on the base of phesical and chemical properties of ligands
Pshenkina N.N.
Military Medical Academy named after S.M. Kirov, Academic Lebedev str., 6, Saint Petersburg, 194044, Russia
Brief summary
Drug – albumin binding constants foe 50 substances have been received in in vitro experiments. Physical and chemical properties for these drugs have been calculated by means of methods of computer chemistry and have served as predictors in development of regression equations for prediction of binding constants. The developed equations have allowed with sufficient probability to predict values of interaction constants, and have been validated by means of independent drug set. Key words albumin, drugs, binding, physical and chemical properties, prediction. (The article in PDF format. For preview need Adobe Acrobat Reader)  Open article in new window
Reference list 1. Kamal J.K.A., Zhao L., Zewail A.H. Ultrafast hydration dynamics in protein unfolding: Human serum albumin // Proc. Nat. Acad. Sci. USA. - 2004. - Vol.101. - №37. - P.13411-13416. 2. Peters T., Jr. All about albumin: biochemistry, genetics and medical application. San Diego: Academic Press. - 1996. 3. Seedher N ., Bhatia S. Mechanism of interaction of the non-steroidal antiinflammatory drugs meloxicam and nimesulide with serum albumin // J. Pharm. Biomed. Anal. - 2005. - Vol.39. - №1-2. - P.257-262. 4. Aarons L . Kinetics of drug-drug interactions // Pharmacol. Ther. - 1981. - Vol.14. - №3. - P.321-344. 5. Perucca E ., Richens A. Interpretation of drug levels: relevance of plasma protein binding // Ciba Found. Symp. - 1979. - Vol.74. - P.51-68. 6. Seydel J.K ., Schaper K.J. Quantitative structure-pharmacokinetic relationships and drug design // Pharmacol. Ther. - 1981. - Vol.15. - №2. - P.131-182. 7. Carter D.C ., Ho J.X. Structure of serum albumin // Adv. Protein. Chem. - 1994. - Vol.45. - P.153-203. 8. Ferrer M.L ., Duchowicz R., Carrasco B., de la Torre J.G., Acuna A.U. The conformation of serum albumin in solution: a combined phosphorescence depolarization - hydrodynamic modeling study // Biophys. J. - 2001. - Vol.80. - №5. - P.2422-2430. 9. Kragh-Hansen U. Molecular aspects of ligand binding to serum albumin // Pharmacol. Rev. - 1981. - Vol.33. - №1. - P.17-53. 10. Sugio S., Kashima A., Mochizuki S., Noda M., Kobayashi K. Cristal structure of human serum albumin at 2.5 Ǻ resolution // Prot. Engineering. - 1999. - Vol.12. - №6. - P.439- 446. 11. Kratochwil N.A., Huber W., Müller F., Kansy M., Gerber P.R. Predicting plasma protein binding of drugs: A new approach // Biochem. Pharmacol. – 2002. - Vol. 64, № 9. – P. 1355-1374. 12. Hall L.M., Hall L.H., Kier L.B. Modeling drug albumin binding affinity with e-state topological structure representation // J. Chem. Inf. Comput. Sci. – 2003. – Vol.43. – P.2120-2128. 13. Molinspiration. Calculation of Molecular Properties and Bioactivity Score. URL: http://www.molinspiration.com/cgi-bin/properties 14. Quantum Pharmaceuticals. URL: http://q-pharm.com 15. DrugBank database. URL: http://www.drugbank.ca 16. Lakovich Dj. Osnovi flyorescentnoi spektroskopii. M.: Mir. 1986. 485s. 17. Registr lekarstvennih sredstv Rossii. Spravochnik po lekarstvennim preparatam i ih proizvoditelyam. URL: http://www.rlsnet.ru |
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