Abstract

Nowadays, facile and short synthesis of new antifungal pyrazole-derivatives ligands has attracted increasing attention due to their simplicity and effectiveness. In here, we have prepared a new family of pyrazole in one step by condensation of [NNOH:(1H-pyrazol-1-yl)methanol], [NCOH:(3,5-dimethyl-1H-pyrazol-1-yl)methanol], and [NOCOH:ethyl1-(hydroxymethyl)-5-methyl-1H-pyrazole-3carboxylate] with several amines ligands. All structures of L₁-L₁₀, were structured by spectroscopies methods, particularly FTIR, ¹H-NMR, ¹³C-NMR, plus (EA%)-elemental analysis, as well as, the evaluation of its antifungal properties against Fusarium Oxysporum Albedinis (FOA). The important substantial results were obtained for the compounds L₁, L₄, L₅ and L₈ with MIC₅₀ 78-92 µg/mL. Bioinformatics calculations (POM and DFT/Docking analyses) were used to predict and optimize these antifungal results. Both experimental and theoretical results showed a good agreement.

Title

Ismail

Publisher

warad

Publisher Country

Palestine

Publication Type

Prtinted only

Volume

--

Year

--

Pages

--