title: Integrity profiling of high throughput screening hits using LC-MS and related techniques.
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.
authors.affiliation: Chemical and Screening Sciences, Wyeth Research Princeton, NJ 08543-8000, USA. kernse@wyeth.com
authors.forename: Edward H
authors.initials: EH
authors.lastname: Kerns
authors.forename: Li
authors.initials: L
authors.lastname: Di
authors.forename: Jim
authors.initials: J
authors.lastname: Bourassa
authors.forename: Jonathan
authors.initials: J
authors.lastname: Gross
authors.forename: Nelson
authors.initials: N
authors.lastname: Huang
authors.forename: Hanlan
authors.initials: H
authors.lastname: Liu
authors.forename: Teresa
authors.initials: T
authors.lastname: Kleintop
authors.forename: Lisa
authors.initials: L
authors.lastname: Nogle
authors.forename: Larry
authors.initials: L
authors.lastname: Mallis
authors.forename: Chris
authors.initials: C
authors.lastname: Petucci
authors.forename: Susan
authors.initials: S
authors.lastname: Petusky
authors.forename: Mark
authors.initials: M
authors.lastname: Tischler
authors.forename: Chantel
authors.initials: C
authors.lastname: Sabus
authors.forename: Ani
authors.initials: A
authors.lastname: Sarkahian
authors.forename: Mairead
authors.initials: M
authors.lastname: Young
authors.forename: Mei-Yi
authors.initials: MY
authors.lastname: Zhang
authors.forename: Donna
authors.initials: D
authors.lastname: Huryn
authors.forename: Oliver
authors.initials: O
authors.lastname: McConnell
authors.forename: Guy
authors.initials: G
authors.lastname: Carter
mesh_terms: D002853:Chromatography, Liquid / Q000379:methods*; D020650:Combinatorial Chemistry Techniques; D013058:Mass Spectrometry / Q000379:methods*; D012542:Scattering, Radiation; D013056:Spectrophotometry, Ultraviolet; D013329:Structure-Activity Relationship