Molecular Determinants of the Kinetic Binding Properties of Antihistamines at the Histamine H1 Receptors.

ABSTRACT: The binding affinity of ligands for their receptors is determined by their kinetic and thermodynamic binding properties. Kinetic analyses of the rate constants of association and dissociation (kon and koff, respectively) of antihistamines have suggested that second-generation antihistamines have a long duration of action owing to the long residence time (1/koff) at the H1 receptors. In this study, we examined the relationship between the kinetic and thermodynamic binding properties of antihistamines, followed by an evaluation of the structural determinants responsible for their kinetic binding properties using quantitative structure-activity relationship (QSAR) analyses. We found that whereas the binding enthalpy and entropy might contribute to the increase and decrease, respectively, in t

SUBMITTER: Akimoto H 

PROVIDER: S-EPMC7957501 | biostudies-literature | 2021 Feb

REPOSITORIES: biostudies-literature