Parallel screening of selective and high-affinity displacers for proteins in ion-exchange systems

Kaushal Rege, Asif Ladiwala, Nihal Tugcu, Curt M. Breneman, Steven M. Cramer

Research output: Contribution to journalArticlepeer-review

38 Scopus citations


This paper employs a parallel batch screening technique for the identification of both selective and high-affinity displacers for a model binary mixture of proteins in a cation-exchange system. A variety of molecules were screened as possible displacers for the proteins ribonuclease A (RNAseA) and α-chymotrypsinogen A (α-chyA) on high performance Sepharose SP. The batch screening data for each protein was used to select leads for selective and high-affinity displacers and column experiments were carried out to evaluate the performance of the selected leads. The data from the batch displacements was also employed to generate quantitative structure-efficacy relationship (QSER) models based on a support vector machine regression approach. The resulting models had high correlation coefficients and were able to predict the behaviour of molecules not included in the training set. The descriptors selected in the QSER models for both proteins were examined to provide insights into factors influencing displacer selectivity in ion-exchange systems. The results presented in this paper demonstrate that this parallel batch screening-QSER approach can be employed for the identification of selective and high-affinity displacers for protein mixtures.

Original languageEnglish (US)
Pages (from-to)19-28
Number of pages10
JournalJournal of Chromatography A
Issue number1
StatePublished - Apr 9 2004
Externally publishedYes


  • Displacement chromatography
  • Mathematical modelling
  • Proteins
  • Regression analysis
  • Screening
  • Selectivity
  • Structure-activity relationships
  • Support vector machine

ASJC Scopus subject areas

  • Analytical Chemistry
  • Biochemistry
  • Organic Chemistry


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