title: Profile of the intermolecular forces governing the interaction of drugs with mucin.
abstract: The study highlights the balance of the intermolecular forces governing the interaction between drugs and mucin. The interaction strength is expressed as a retention factor k (data retrieved from the literature (Gargano et al., 2014)) obtained by a new bio-affinity chromatographic method in which the stationary phase is based on covalently immobilized mucin (porcine gastric mucin, PGM). A quantitative structure-property relationship (QSPR) between logk and 82 VolSurf+ descriptors was established and mechanistically interpreted. Results evidence that all blocks contribute similarly to the model; moreover, hydrogen bonding donor (HBD) properties of solutes favor the interaction with mucin; and thus, support their detrimental role on drug permeability.
authors.affiliation: Molecular Biotechnology and Health Sciences Department, Università degli Studi di Torino, via Quarello 15, 10135 Torino, Italy. Electronic address: giulia.caron@unito.it.
authors.forename: Giulia
authors.initials: G
authors.lastname: Caron
authors.affiliation: Molecular Biotechnology and Health Sciences Department, Università degli Studi di Torino, via Quarello 15, 10135 Torino, Italy.
authors.forename: Sonja
authors.initials: S
authors.lastname: Visentin
authors.affiliation: Molecular Biotechnology and Health Sciences Department, Università degli Studi di Torino, via Quarello 15, 10135 Torino, Italy.
authors.forename: Carlotta
authors.initials: C
authors.lastname: Pontremoli
authors.affiliation: Molecular Biotechnology and Health Sciences Department, Università degli Studi di Torino, via Quarello 15, 10135 Torino, Italy.
authors.forename: Giuseppe
authors.initials: G
authors.lastname: Ermondi
mesh_terms: D006860:Hydrogen Bonding; D057927:Hydrophobic and Hydrophilic Interactions; D009077:Mucins / Q000737:chemistry*; D021281:Quantitative Structure-Activity Relationship
chemical_list: D009077:Mucins
keywords: Absorption; Mucin; QSPR; VolSurf+