title: BC(50): a generalized, unifying affinity descriptor.
abstract: Assessing binding affinities is an unavoidable step that we come across any time interactions between binding species are investigated. A quantitative evaluation of binding affinities relies on the determination of binding constants but, whilst the binding constant fully defines the affinity of a reagent for a ligand when only one complex species is formed, the same is not true when the interacting partners form more than one complex of different stoichiometry, because all complexes contribute to the overall binding affinity. Unfortunately, this situation is the rule rather than the exception in chemical systems, but a generally accepted solution for this issue has not yet been settled. In this Personal Account, we describe the evolution, from the initial idea to a fully developed stage, of a binding descriptor that has been developed with the aim of filling this gap, thereby providing scientists in all fields of chemistry with a unifying tool for the assessment of binding affinities based on the knowledge of the binding constants in systems that involve any number of complex species.
authors.affiliation: Dipartimento di Chimica, Università di Firenze, Polo Scientifico e Tecnologico, I-50019 Sesto Fiorentino, Firenze, Italy.
authors.forename: Alberto
authors.initials: A
authors.lastname: Vacca
authors.forename: Oscar
authors.initials: O
authors.lastname: Francesconi
authors.forename: Stefano
authors.initials: S
authors.lastname: Roelens
mesh_terms: D000838:Anions / Q000737:chemistry / Q000378:metabolism; D064026:Calbindins; D006454:Hemoglobins / Q000737:chemistry / Q000378:metabolism; D007700:Kinetics; D008958:Models, Molecular; D011485:Protein Binding; D011506:Proteins / Q000737:chemistry / Q000378:metabolism; D064030:S100 Calcium Binding Protein G / Q000737:chemistry / Q000378:metabolism; D012709:Serum Albumin / Q000737:chemistry / Q000378:metabolism
chemical_list: D000838:Anions; D064026:Calbindins; D006454:Hemoglobins; D011506:Proteins; D064030:S100 Calcium Binding Protein G; D012709:Serum Albumin