title: [The importance of molecular parameters of quaternary ammonium salts in their antigibberellin (retardant) activity].
abstract: The importance of six theoretically calculated molecular parameters in the antigibberellin (retardant) activity of quaternary ammonium salts is studied using regression analysis. A bioassay system based on cell culture of fungus Gibberella fujikuroi is used to determine the activity. In the case of N,N,N-trimethyl-N-(2-hydroxyethyl)ammonium chloride (choline) and N,N,N-triethyl-N-(2-hydroxyethyl)ammonium chloride (N,N,N-triethylcholine) derivatives with linear structure, the polarizability, proton acceptor activity, and lipophilicity of these compounds exert the largest effect on the antigibberellin activity. The antigibberellin activity of more sterically hindered N,N-dialkylpiperidinium salts was mainly defined by the steric parameter, while the polarizability, proton acceptor activity, and (through them) lipophilicity exert a lesser effect. Other parameters are of minor importance for the three groups of compounds studied. The English version of the paper: Russian Journal of Bioorganic Chemistry, 2004, vol. 30, no. 6; see also http://www.maik.ru.
authors.forename: R G
authors.initials: RG
authors.lastname: Gafurov
authors.forename: V Iu
authors.initials: VIu
authors.lastname: Grigor'ev
authors.forename: A N
authors.initials: AN
authors.lastname: Proshin
authors.forename: V G
authors.initials: VG
authors.lastname: Chistiakov
authors.forename: I V
authors.initials: IV
authors.lastname: Martynov
authors.forename: N S
authors.initials: NS
authors.lastname: Zefirov
mesh_terms: D005874:Gibberella / Q000187:drug effects*; D005875:Gibberellins / Q000037:antagonists & inhibitors*; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D000644:Quaternary Ammonium Compounds / Q000737:chemistry* / Q000494:pharmacology; D012044:Regression Analysis; D013329:Structure-Activity Relationship
chemical_list: D005875:Gibberellins; D000644:Quaternary Ammonium Compounds