title: Structure-based discovery of a new affinity ligand to pancreatic alpha-amylase.
abstract: A ligand useful for affinity capture of porcine pancreatic alpha-amylase was found by virtual screening of the commercially available compound data base MDL Available Chemicals Directory. Hits from the virtual screening were investigated for binding by nuclear magnetic resonance (NMR) and surface plasmon resonance. Selected compounds were tested for inhibition of the enzyme using a NMR-based assay. One of the binders found was covalently coupled to a chromatographic resin and a column, packed with this resin, could retain alpha-amylase, which subsequently was eluted by introduction of the known inhibitor acarbose to the elution buffer.
authors.affiliation: Amersham Biosciences, Björkgatan 30, Uppsala, SE-75184, Sweden.
authors.forename: Maria
authors.initials: M
authors.lastname: Westerfors
authors.forename: Ulf
authors.initials: U
authors.lastname: Tedebark
authors.forename: Hans O
authors.initials: HO
authors.lastname: Andersson
authors.forename: Sara
authors.initials: S
authors.lastname: Ohrman
authors.forename: Devapriya
authors.initials: D
authors.lastname: Choudhury
authors.forename: Oguz
authors.initials: O
authors.lastname: Ersoy
authors.forename: Yasuro
authors.initials: Y
authors.lastname: Shinohara
authors.forename: Andreas
authors.initials: A
authors.lastname: Axén
authors.forename: Enrique
authors.initials: E
authors.lastname: Carredano
authors.forename: Herbert
authors.initials: H
authors.lastname: Baumann
mesh_terms: D000818:Animals; D015374:Biosensing Techniques; D003198:Computer Simulation; D009682:Magnetic Resonance Spectroscopy; D008956:Models, Chemical; D008958:Models, Molecular; D010179:Pancreas / Q000201:enzymology*; D013329:Structure-Activity Relationship; D020349:Surface Plasmon Resonance; D013552:Swine; D000516:alpha-Amylases / Q000737:chemistry*
chemical_list: D000516:alpha-Amylases