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Journal

2009 | 7 | 1 | 59-65

Article title

Quantitative structure-property relationship study on the determination of binding constant by fluorescence quenching

Content

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Languages of publication

EN

Abstracts

EN
Models to predict binding constant (logK) to bovine serum albumin (BSA) should be very useful in the pharmaceutical industry to help speed up the design of new compounds, especially as far as pharmacokinetics is concerned. We present here an extensive list of logK binding constants for thirty-five compounds to BSA determined by florescence quenching from the literature. These data have allowed us the derivation of a quantitative structure-property relationship (QSPR) model to predict binding constants to BSA of compounds on the basis of their structure. A stepwise multiple linear regression (MLR) was performed to build the model. The statistical parameter provided by the MLR model (R = 0.9200, RMS = 0.3305) indicated satisfactory stability and predictive ability for the model. Using florescence quenching spectroscopy, we also experimentally determined the binding constants to BSA for two bioactive components in traditional Chinese medicines. Using the proposed model it was possible to predict the binding constants for each, which were in good agreement with the experimental results. This QSPR approach can contribute to a better understanding of structural factors of the compounds responsible for drug-protein interactions, and be useful in predicting the binding constants of other compounds. [...]

Publisher

Journal

Year

Volume

7

Issue

1

Pages

59-65

Physical description

Dates

published
1 - 3 - 2009
online
23 - 12 - 2008

Contributors

author
  • Department of Applied Chemistry, Yantai University, Yantai, 264005, P. R. China
author
  • Department of Applied Chemistry, Yantai University, Yantai, 264005, P. R. China
author
  • Department of Applied Chemistry, Yantai University, Yantai, 264005, P. R. China
author
  • Department of Applied Chemistry, Yantai University, Yantai, 264005, P. R. China
author
  • National Key Lab. of Vacuum & Cryogenics Technology and Physics, Lanzhou Institute of Physics, Lanzhou, 730000, China
author
  • National Key Lab. of Vacuum & Cryogenics Technology and Physics, Lanzhou Institute of Physics, Lanzhou, 730000, China
author
  • Department of Chemistry, Lanzhou University, Lanzhou, 730000, P. R. China

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Document Type

Publication order reference

Identifiers

YADDA identifier

bwmeta1.element.-psjd-doi-10_2478_s11532-008-0095-3
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