title: Biopartitioning micellar chromatography to predict blood to lung, blood to liver, blood to fat and blood to skin partition coefficients of drugs.
abstract: Biopartitioning micellar chromatography (BMC), a mode of micellar liquid chromatography that uses micellar mobile phases of Brij35 in adequate experimental conditions, has demonstrated to be useful in mimicking the drug partitioning process into biological systems. In this paper, the usefulness of BMC for predicting the partition coefficients from blood to lung, blood to liver, blood to fat and blood to skin is demonstrated. PLS2 and multiple linear regression (MLR) models based on BMC retention data are proposed and compared with other ones reported in bibliography. The proposed models present better or similar descriptive and predictive capability.
authors.affiliation: Departamento de Química Analítica, Universidad de Valencia, Burjassot, Valencia, Spain.
authors.forename: Y
authors.initials: Y
authors.lastname: Martín-Biosca
authors.forename: S
authors.initials: S
authors.lastname: Torres-Cartas
authors.forename: R M
authors.initials: RM
authors.lastname: Villanueva-Camañas
authors.forename: S
authors.initials: S
authors.lastname: Sagrado
authors.forename: M J
authors.initials: MJ
authors.lastname: Medina-Hernández
mesh_terms: D000273:Adipose Tissue / Q000378:metabolism*; D000818:Animals; D002853:Chromatography, Liquid / Q000379:methods*; D019295:Computational Biology; D006801:Humans; D016014:Linear Models; D008099:Liver / Q000378:metabolism*; D008168:Lung / Q000378:metabolism*; D008823:Micelles; D004364:Pharmaceutical Preparations / Q000032:analysis / Q000097:blood*; D010599:Pharmacokinetics; D021281:Quantitative Structure-Activity Relationship; D011817:Rabbits; D051381:Rats; D012867:Skin / Q000378:metabolism*; D014018:Tissue Distribution
chemical_list: D008823:Micelles; D004364:Pharmaceutical Preparations