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Synthesis, Antimicrobial Screening, Homology Modeling, and Molecular Docking Studies of a New Series of Schiff Base Derivatives as Prospective Fungal Inhibitor Candidates

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Laboratory of Applied Chemistry & Environment, Faculty of Sciences, Mohammed First University, Oujda 60000, Morocco
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Laboratory of Biochemistry, Faculty of Sciences, Mohammed First University, Oujda 60000, Morocco
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Department of Pharmacognosy, College of Pharmacy, King Khalid University, Abha 61441, Saudi Arabia
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Department of Pharmaceutical Chemistry, College of Pharmacy, King Khalid University, Abha 61441, Saudi Arabia
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Authors to whom correspondence should be addressed.
Molecules 2019, 24(18), 3250; https://doi.org/10.3390/molecules24183250
Received: 17 July 2019 / Revised: 31 August 2019 / Accepted: 2 September 2019 / Published: 6 September 2019
(This article belongs to the Section Medicinal Chemistry)
Twelve new Schiff base derivatives have been prepared by the condensation reaction of different amino substituted compounds (aniline, pyridin-2-amine, o-toluidine, 2-nitrobenzenamine, 4-aminophenol, and 3-aminopropanol) and substituted aldehydes such as nicotinaldehyde, o,m,p-nitrobenzaldehyde, and picolinaldehyde in ethanol using acetic acid as a catalyst. The envisaged structures of the all the synthesized ligands have been confirmed on the basis of their spectral analysis FT-IR, mass spectroscopy, 1H- and 13C-NMR. In vitro screening of their antibacterial and antifungal potential against Escherichia coli bacterium and Fusarium oxysporum f.sp albedinis (F.o.a) fungus, respectively, revealed that all the ligands showed no significant antibacterial activity, whereas most of them displayed good antifungal activity. Homology modeling and docking analysis were performed to explain the antifungal effect of the most and least active compound against two F.o.a fungus proteins. View Full-Text
Keywords: Schiff bases; synthesis; antifungal; molecular docking; homology modeling; pharmacophore site Schiff bases; synthesis; antifungal; molecular docking; homology modeling; pharmacophore site
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Toubi, Y.; Abrigach, F.; Radi, S.; Souna, F.; Hakkou, A.; Alsayari, A.; Bin Muhsinah, A.; Mabkhot, Y.N. Synthesis, Antimicrobial Screening, Homology Modeling, and Molecular Docking Studies of a New Series of Schiff Base Derivatives as Prospective Fungal Inhibitor Candidates. Molecules 2019, 24, 3250.

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