title: Design of screening collections for successful fragment-based lead discovery.
abstract: A successful fragment-based lead discovery (FBLD) campaign largely depends on the content of the fragment collection being screened. To design a successful fragment collection, several factors must be considered, including collection size, property filters, hit follow-up considerations, and screening methods. In this chapter, we will discuss each factor and how it was applied to the design and assembly of one or more fragment collections in a major pharmaceutical company setting. We will also present examples and statistics of screening results from such collections and how subsequent collections can be improved. Lastly, we will provide a summary comparison of selected fragment collections from literature.
authors.affiliation: Pfizer Global Research and Development, La Jolla Laboratories, San Diego, CA, USA.
authors.forename: James
authors.initials: J
authors.lastname: Na
authors.forename: Qiyue
authors.initials: Q
authors.lastname: Hu
mesh_terms: D020650:Combinatorial Chemistry Techniques / Q000379:methods*; D004353:Drug Evaluation, Preclinical / Q000379:methods*; D008024:Ligands; D009682:Magnetic Resonance Spectroscopy; D054852:Small Molecule Libraries / Q000737:chemistry* / Q000378:metabolism / Q000494:pharmacology; D013379:Substrate Specificity
chemical_list: D008024:Ligands; D054852:Small Molecule Libraries