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IJC-B Vol.49B(09) [September 2010] >

Title: Fungitoxicity and QSAR of 4-amino-5-substituted aryl-3- mercapto-(4H)-1,2,4-triazoles
Authors: Bijul, Lakshman A
Gupta, R L
Keywords: QSAR
fungicidal activity
Issue Date: Sep-2010
Publisher: CSIR
Abstract: Twenty eight 4-amino-5-substituted aryl-3-mercapto-1,2,4-triazoles have been tested in vitro against Rhizoctonia solani, Sclerotium rolfsii, Fusarium oxysporum, Pythium aphanidermatum, Puccinia recondita and Bipolaris sorokiniana. These triazoles have shown very good activity against all the six test fungi, their activity against P. recondita and B. sorokiniana have been found excellent. The compound, 5-(2-chloro-5-nitrophenyl)-4-amino-3-mercapto-1,2,4-triazole 27 exhibits highest activity (ED50 =12 mg mL-1) against P. recondita and the compounds 5-(2-chlorophenyl)-4-amino-3-mercapto-1,2,4-triazole 3 and 5-(4-formylphenyl)-4-amino-3-mercapto-1,2,4-traizole 19 (ED50 =27 mg mL-1) against B. sorokiniana. The quantitative structure activity relationship (QSAR) analyzed using physicochemical parameters for hydrophobic, electronic and steric properties of the molecules by means of multiple regression analysis has revealed different structural requirement for fungicidal activity against different fungi. The position dependent steric effect of the aryl substituents is playing an important role in imparting fungicidal activity against all the test fungi. The positive sign with steric parameter terms indicate that their higher values enhance the fungicidal activity in this series. The other parameters for hydrophobic and electronic effect are also influencing the fungicidal activity differently against different fungi.
Page(s): 1235-1242
CC License:  CC Attribution-Noncommercial-No Derivative Works 2.5 India
ISSN: 0975-0983(Online); 0376-4699(Print)
Source:IJC-B Vol.49B(09) [September 2010]

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