Investigation of substituent effect of 1-(3,3-diphenylpropyl)-piperidinyl phenylacetamides on CCR5 binding affinity using QSAR and virtual screening techniques

  title={Investigation of substituent effect of 1-(3,3-diphenylpropyl)-piperidinyl phenylacetamides on CCR5 binding affinity using QSAR and virtual screening techniques},
  author={Antreas Afantitis and Georgia Melagraki and Haralambos Sarimveis and P. Koutentis and John Markopoulos and Olga Igglessi-Markopoulou},
  journal={Journal of Computer-Aided Molecular Design},
SummaryA linear quantitative–structure activity relationship model is developed in this work using Multiple Linear Regression Analysis as applied to a series of 51 1-(3,3-diphenylpropyl)-piperidinyl phenylacetamides derivatives with CCR5 binding affinity. For the selection of the best variables the Elimination Selection-Stepwise Regression Method (ES-SWR) is utilized. The predictive ability of the model is evaluated against a set of 13 compounds. Based on the produced QSAR model and an analysis… 
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  • A. Debnath
  • Chemistry, Medicine
    Journal of medicinal chemistry
  • 2003
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