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Vol. 12, Art. 81 (pp. 980-989)    |    2011       

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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.

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