Integrity Profiling of High Throughput Screening Hits Using LC-MS and Related Techniques

Chris Petucci; Guy Carter; Oliver McConnell; Donna Huryn; Mei-yi Zhang; Mairead Young; Ani Sarkahian; Chantel Sabus; Mark Tischler; Susan Petusky; Edward H. Kerns; Larry Mallis; Lisa Nogle; Teresa Kleintop; Hanlan Liu; Nelson Huang; Jonathan Gross; Jim Bourassa; Li Di

doi:10.2174/1386207054867283

Abstract

Integrity profiling of HTS hits is valuable for verification of the hit identity and purity. This provides early discovery researchers with more confident SAR theories. Methodology for integrity profiling of HTS hits must be high throughput, consume little material, and selectively provide structure-based data. Analytical techniques that can be utilized for integrity profiling methods are reviewed for their appropriateness in sample preparation, component separation, detection, purity quantitation, identity confirmation, and follow-up.

Keywords: Integrity profiling, LC-MS, evaporative light scattering detection (ELSD), chemiluminescent nitrogen detection (CLND)

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Combinatorial Chemistry & High Throughput Screening

Title: Integrity Profiling of High Throughput Screening Hits Using LC-MS and Related Techniques

Volume: 8 Issue: 6

Author(s): Chris Petucci, Guy Carter, Oliver McConnell, Donna Huryn, Mei-yi Zhang, Mairead Young, Ani Sarkahian, Chantel Sabus, Mark Tischler, Susan Petusky, Edward H. Kerns, Larry Mallis, Lisa Nogle, Teresa Kleintop, Hanlan Liu, Nelson Huang, Jonathan Gross, Jim Bourassa and Li Di

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Keywords: Integrity profiling, LC-MS, evaporative light scattering detection (ELSD), chemiluminescent nitrogen detection (CLND)

Abstract: Integrity profiling of HTS hits is valuable for verification of the hit identity and purity. This provides early discovery researchers with more confident SAR theories. Methodology for integrity profiling of HTS hits must be high throughput, consume little material, and selectively provide structure-based data. Analytical techniques that can be utilized for integrity profiling methods are reviewed for their appropriateness in sample preparation, component separation, detection, purity quantitation, identity confirmation, and follow-up.

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Chris Petucci , Guy Carter , Oliver McConnell , Donna Huryn , Mei-yi Zhang , Mairead Young , Ani Sarkahian , Chantel Sabus , Mark Tischler , Susan Petusky , Edward H. Kerns , Larry Mallis , Lisa Nogle , Teresa Kleintop , Hanlan Liu , Nelson Huang , Jonathan Gross , Jim Bourassa and Li Di , Integrity Profiling of High Throughput Screening Hits Using LC-MS and Related Techniques, Combinatorial Chemistry & High Throughput Screening 2005; 8 (6) . https://dx.doi.org/10.2174/1386207054867283