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Screening a fragment cocktail library using ultrafiltration.

ABSTRACT: Ultrafiltration provides a generic method to discover ligands for protein drug targets with millimolar to micromolar K(d), the typical range of fragment-based drug discovery. This method was tailored to a 96-well format, and cocktails of fragment-sized molecules, with molecular masses between 150 and 300 Da, were screened against medical structural genomics target proteins. The validity of the method was confirmed through competitive binding assays in the presence of ligands known to bind the target proteins.

SUBMITTER: Shibata S

PROVIDER: S-EPMC3166647 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

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Screening a fragment cocktail library using ultrafiltration.

Shibata Sayaka S Zhang Zhongsheng Z Korotkov Konstantin V KV Delarosa Jaclyn J Napuli Alberto A Kelley Angela M AM Mueller Natasha N Ross Jennifer J Zucker Frank H FH Buckner Frederick S FS Merritt Ethan A EA Verlinde Christophe L M J CL Van Voorhis Wesley C WC Hol Wim G J WG Fan Erkang E

Analytical and bioanalytical chemistry 20110713 5

Ultrafiltration provides a generic method to discover ligands for protein drug targets with millimolar to micromolar K(d), the typical range of fragment-based drug discovery. This method was tailored to a 96-well format, and cocktails of fragment-sized molecules, with molecular masses between 150 and 300 Da, were screened against medical structural genomics target proteins. The validity of the method was confirmed through competitive binding assays in the presence of ligands known to bind the ta ...[more]

PMID: 21750879

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