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|Title:||Fungitoxicity and QSAR of 4-amino-5-substituted aryl-3- mercapto-(4<i style="">H</i>)-1,2,4-triazoles|
|Authors:||Bijul, Lakshman A|
Gupta, R L
|Abstract:||Twenty eight 4-amino-5-substituted aryl-3-mercapto-1,2,4-triazoles have been tested <i>in vitro</i> against <i>Rhizoctonia solani, Sclerotium rolfsii, Fusarium oxysporum, Pythium aphanidermatum, Puccinia recondita</i> and <i>Bipolaris sorokiniana</i>. These triazoles have shown very good activity against all the six test fungi, their activity against <i>P. recondita</i> and <i>B.</i> <i>sorokiniana</i> have been found excellent. The compound, 5-(2-chloro-5-nitrophenyl)-4-amino-3-mercapto-1,2,4-triazole <b style="">27</b> exhibits highest activity (ED<sub>50</sub> =12 mg mL<sup>-1</sup>) against <i style="">P. recondita</i> and the compounds 5-(2-chlorophenyl)-4-amino-3-mercapto-1,2,4-triazole <b style="">3 </b>and 5-(4-formylphenyl)-4-amino-3-mercapto-1,2,4-traizole <b style="">19</b> (ED<sub>50</sub> =27 mg mL<sup>-1</sup>) against <i style="">B.</i> <i style="">sorokiniana.</i> 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.|
|Appears in Collections:||IJC-B Vol.49B(09) [September 2010]|
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