Literature DB >> 21802177

Synthesis, antifungal activity and QSAR study of 2-arylhydroxynitroindoles.

Galina V Kokurkina1, Mikhail D Dutov, Svyatoslav A Shevelev, Sergey V Popkov, Alexey V Zakharov, Vladimir V Poroikov.   

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.
Copyright © 2011 Elsevier Masson SAS. All rights reserved.

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Year:  2011        PMID: 21802177     DOI: 10.1016/j.ejmech.2011.07.008

Source DB:  PubMed          Journal:  Eur J Med Chem        ISSN: 0223-5234            Impact factor:   6.514


  5 in total

1.  QSAR modeling: where have you been? Where are you going to?

Authors:  Artem Cherkasov; Eugene N Muratov; Denis Fourches; Alexandre Varnek; Igor I Baskin; Mark Cronin; John Dearden; Paola Gramatica; Yvonne C Martin; Roberto Todeschini; Viviana Consonni; Victor E Kuz'min; Richard Cramer; Romualdo Benigni; Chihae Yang; James Rathman; Lothar Terfloth; Johann Gasteiger; Ann Richard; Alexander Tropsha
Journal:  J Med Chem       Date:  2014-01-06       Impact factor: 7.446

2.  Computational tools and resources for metabolism-related property predictions. 2. Application to prediction of half-life time in human liver microsomes.

Authors:  Alexey V Zakharov; Megan L Peach; Markus Sitzmann; Igor V Filippov; Heather J McCartney; Layton H Smith; Angelo Pugliese; Marc C Nicklaus
Journal:  Future Med Chem       Date:  2012-10       Impact factor: 3.808

3.  A new approach to radial basis function approximation and its application to QSAR.

Authors:  Alexey V Zakharov; Megan L Peach; Markus Sitzmann; Marc C Nicklaus
Journal:  J Chem Inf Model       Date:  2014-02-28       Impact factor: 4.956

4.  QSAR modeling of imbalanced high-throughput screening data in PubChem.

Authors:  Alexey V Zakharov; Megan L Peach; Markus Sitzmann; Marc C Nicklaus
Journal:  J Chem Inf Model       Date:  2014-02-28       Impact factor: 4.956

5.  Design, synthesis and pharmacological evaluation of novel vanadium-containing complexes as antidiabetic agents.

Authors:  Elena V Fedorova; Anna V Buryakina; Alexey V Zakharov; Dmitry A Filimonov; Alexey A Lagunin; Vladimir V Poroikov
Journal:  PLoS One       Date:  2014-07-24       Impact factor: 3.240

  5 in total

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