title: Model-based relationship between physicochemical properties and inhibitory potency of alkylating 2-furylethylenes on yeast glycolysis.
abstract: Inhibitory effects of 35 2-furylethylenes, non-specific alkylating agents, on glycolysis in a respiratory mutant of Saccharomyces cerevisiae were correlated with their 1-octanol/water partition coefficients and the rate constants for reaction with 2-mercaptoacetic acid using physiologically based models. The simplest model explaining the data satisfactorily consists of two-step drug-receptor interaction involving reversible formation of a structurally non-specific non-covalent complex stabilized later covalently. The concentration of the free drug in the receptor surroundings was related to its initial concentration in external medium via a simple form of a disposition function constructed on the basis of time hierarchy of passive membrane transport, non-covalent binding to cell constituents and metabolic inactivation of the drug.
authors.affiliation: Department of Biochemical Technology, Slovak Polytechnical University, Bratislava, Czechoslovakia.
authors.forename: S
authors.initials: S
authors.lastname: Baláz
authors.forename: E
authors.initials: E
authors.lastname: Sturdík
authors.forename: J
authors.initials: J
authors.lastname: Augustín
authors.forename: D
authors.initials: D
authors.lastname: Ilavsky
authors.forename: D
authors.initials: D
authors.lastname: Végh
authors.forename: L
authors.initials: L
authors.lastname: Stibrányi
authors.forename: J
authors.initials: J
authors.lastname: Kovác
mesh_terms: D000477:Alkylating Agents / Q000633:toxicity*; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D005030:Ethylenes / Q000633:toxicity*; D005663:Furans / Q000633:toxicity*; D006019:Glycolysis / Q000187:drug effects*; D008433:Mathematics; D008956:Models, Chemical; D009154:Mutation; D012441:Saccharomyces cerevisiae / Q000187:drug effects
chemical_list: D000477:Alkylating Agents; D005030:Ethylenes; D005663:Furans