title: Synthesis, antifungal activity and QSAR study of 2-arylhydroxynitroindoles.
abstract: A series of 2-arylhydroxynitroindoles were prepared and tested for antifungal activity in vitro. The preliminary bioassays indicated that some compounds are comparable to the commercial fungicide (triadimefon). To further explore the structure-activity relationships, the data set of the seventeen structures and their quantitative values of antifungal activities were used for QSAR modeling. Based on the obtained QSAR models four new chemical compounds were designed, synthesized and tested in fungicidal assays. Reasonable correspondence between the experimental and predicted values of antifungal activity was observed.
authors.affiliation: Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 47 Leninsky prosp, 119991 Moscow, Russian Federation.
authors.forename: Galina V
authors.initials: GV
authors.lastname: Kokurkina
authors.forename: Mikhail D
authors.initials: MD
authors.lastname: Dutov
authors.forename: Svyatoslav A
authors.initials: SA
authors.lastname: Shevelev
authors.forename: Sergey V
authors.initials: SV
authors.lastname: Popkov
authors.forename: Alexey V
authors.initials: AV
authors.lastname: Zakharov
authors.forename: Vladimir V
authors.initials: VV
authors.lastname: Poroikov
mesh_terms: D000935:Antifungal Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D007211:Indoles / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D009682:Magnetic Resonance Spectroscopy; D008826:Microbial Sensitivity Tests; D021281:Quantitative Structure-Activity Relationship
chemical_list: D000935:Antifungal Agents; D007211:Indoles