title: One-bead-one-compound library of end-capped dipeptides and deconvolution by microflow NMR.
abstract: As part of our program to identify novel small molecules with interesting biological activity, we have designed and synthesized a library of end-capped dipeptides with an emphasis on compound diversity, complexity, and membrane permeability. An approximately 1500-member library was synthesized manually on large polystyrene beads using the mix-and-split method. The final compounds were cleaved into 384-well plates to generate individual stock solutions for input into high-throughput biological screens. Individual compounds were decoded using a combination of mass spectrometry and microflow NMR spectroscopy. In principle, this approach to deconvolution obviates the need for complicated binary encoding-decoding strategies for one-bead-one-compound libraries.
authors.affiliation: Department of Chemistry and Biochemistry, University of California, Santa Cruz, 1156 High Street, Santa Cruz, CA 95064, USA.
authors.forename: Rozalyn A
authors.initials: RA
authors.lastname: Simon
authors.forename: Laura
authors.initials: L
authors.lastname: Schuresko
authors.forename: Nagamani
authors.initials: N
authors.lastname: Dendukuri
authors.forename: Emily
authors.initials: E
authors.lastname: Goers
authors.forename: Brent
authors.initials: B
authors.lastname: Murphy
authors.forename: R Scott
authors.initials: RS
authors.lastname: Lokey
mesh_terms: D000620:Aminoimidazole Carboxamide / Q000737:chemistry; D004151:Dipeptides / Q000737:chemistry*; D008832:Microchemistry / Q000379:methods*; D044085:Microfluidics; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods*; D019151:Peptide Library; D011137:Polystyrenes / Q000737:chemistry; D013449:Sulfonamides / Q000737:chemistry
chemical_list: D004151:Dipeptides; D019151:Peptide Library; D011137:Polystyrenes; D013449:Sulfonamides; D000620:Aminoimidazole Carboxamide