Identification of small molecules by screening a mixture-based scaffold compound library for treatment of alpha-1 antitrypsin deficiency
Zhang X, Santos R, Debevec G, Li D, Schutte R, Pham K, Liu C, Ostrov DA, Giulianotti M. Identification of small molecules by screening a mixture-based scaffold compound library for treatment of alpha-1 antitrypsin deficiency. Biochemical And Biophysical Research Communications 2020, 527: 317-323. PMID: 32446387, DOI: 10.1016/j.bbrc.2020.04.037.Peer-Reviewed Original ResearchConceptsSmall moleculesCompound librariesStructural diversityActive compoundsPreliminary structure-activity relationshipScaffold libraryIndividual active compoundsStructure-activity relationshipsMixture librariesTitration experimentsCrystal structureMolecular dockingPolymerization sitePromising scaffoldCompoundsMixture formatMoleculesPosition R1Mixture samplesScaffoldsPotential binding sitesBinding sitesDocking