Antibacterial Evaluation and Virtual Screening of New Thiazolyl-Triazole Schiff Bases as Potential DNA-Gyrase Inhibitors

Nastasă, Cristina; Vodnar, Dan Cristian; Ionuț, Ioana; Stana, Anca; Benedec, Daniela; Tamaian, Radu; Oniga, Ovidiu; Tiperciuc, Brîndușa

doi:10.3390/ijms19010222

Cited by 44 publications

(34 citation statements)

References 69 publications

(89 reference statements)

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“…All the complexes exhibited antifungal activity with MIC value of 48.83 μg/mL against C. albicans and C. neoformans (fungal strains), comparable to amphotericin B (an antifungal drug) except [Cu(BEB)OAc] with MIC value of 195.3 μg/mL ( Table 5 ). The in vitro antifungal activity exhibited by the as-synthesized compounds ( Figure 8 ) can be explained on the basis Overtone’s Concept and Tweedy’s Chelation Theory [ 10 , 16 , 23 , 26 , 31 ]. The minimum inhibitory concentration (MIC) displayed in Table 5 and Figure 7 , describes the susceptibility of the selected microorganisms in the order; S. aureus (48.83 µg/mL) > E. faecalis (195.3 µg/mL) > P. aeruginosa (390.6 µg/mL) > K. pneumoniae (781.3 µg/mL) towards the [Cu(BEB)SCN].…”

Section: Resultsmentioning

confidence: 99%

Cu(II) Complexes of 4-[(1E)-N-{2-[(Z)-Benzylidene-amino]ethyl}ethanimidoyl]benzene-1,3-diol Schiff Base: Synthesis, Spectroscopic, In-Vitro Antioxidant, Antifungal and Antibacterial Studies

Ejidike

2018

Molecules

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The current study reports the synthesis of copper complexes of a tridentate Schiff base ligand. The compounds of the type [Cu(L)X]∙n(H2O) (where L = tridentate ONN Schiff base ligand, X = Cl−, Br−, SCN−, NO3−, CH3COO−), were characterized on the basis of elemental analyses, FT-IR, UV-vis, molar conductance, 1H-NMR, XRD and thermal analyses. The spectra revealed that the Schiff base ligand acts as a tridentate ligand through two azomethine nitrogen atoms and a phenolic oxygen atom. The molar conductance measurements of the complexes in DMF correspond to non-electrolytic nature. TGA and DTA studies results gave insight into the dehydration, thermal stability, and thermal decomposition. Square-planar geometry has been assigned to the prepared complexes as indicated by the electronic spectral measurements. Cu(II) compounds showed antiradical potential against DPPH and ABTS radicals. The antimicrobial potential of the Schiff base ligand and its Cu(II) complexes were evaluated by the rapid p-iodonitrotetrazolium chloride (INT) colorimetric assay against some selected bacteria strains: Staphylococcus aureus and Enterococcus faecalis (Gram +ve); Klebsiella pneumoniae and Pseudomonas aeruginosa (Gram −ve), and fungi (Candida albicans and Cryptococcus neoformans). The compounds showed a broad spectrum of antibacterial and antifungal activities, with MIC values ranging from 48.83 to 3125 μg/mL.

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Section: Resultsmentioning

confidence: 99%

Cu(II) Complexes of 4-[(1E)-N-{2-[(Z)-Benzylidene-amino]ethyl}ethanimidoyl]benzene-1,3-diol Schiff Base: Synthesis, Spectroscopic, In-Vitro Antioxidant, Antifungal and Antibacterial Studies

Ejidike

2018

Molecules

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“…The MolDock score functions were used with a 0.3° grid resolution. The binding sites were defined to any residues that were a distance of 12 Å away from the co-crystallized tetrazole-based antifungal drug and fluconazole in the complex crystal structures of the enzymes [ 48 , 49 , 50 , 51 ].…”

Section: Methodsmentioning

confidence: 99%

Synthesis, Molecular Docking Studies, In Vitro Antimicrobial and Antifungal Activities of Novel Dipeptide Derivatives Based on N-(2-(2-Hydrazinyl-2-oxoethylamino)-2-oxoethyl)-Nicotinamide

et al. 2018

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A series of linear dipeptide derivatives (4–10) were prepared and evaluated as antimicrobial agents via the synthesis of N-(2-(2-hydrazinyl-2-oxoethylamino)-2-oxoethyl) nicotinamide (4). Compound 4 was reacted with 4-chlorobenzaldehyde or 4-hydroxybenzaldehyde, to give the hydrazones 5 and 6, respectively. On the other hand, Compound 4 was coupled with phenylisocyanate or methylisothiocyanate to give Compounds 7 and 8, respectively. The latter compounds (7 and 8) were coupled with chloroacetic acid to give oxazolidine (9) and thiazolidine (10), respectively. The newly synthesized dipeptide compounds were confirmed by means of their spectral data. The antimicrobial activity of the newly synthesized compounds 4–10 was evaluated by agar well diffusion, and they showed good activity. Compounds 4, 5, and 9 gave the most promising activity in this study. Most of the tested compounds possessed MIC values ranging from 50 to 500 µg/mL. Furthermore, docking studies were carried out on enoyl reductase from E. coli and cytochrome P450 14 α-sterol demethylase (Cyp51) from Candida albicans active sites. The MolDock scores of the seven tested compounds ranged between −117 and −171 and between −107 and −179, respectively.

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“…DMSO had no inhibition zone. Based on the found inhibition zone diameters, activity indexes (%AI) were calculated, using the formula: [19].…”

Section: Evaluation Of the Antimicrobial Activitymentioning

confidence: 99%

Rational Synthesis of Some New para-Aminobenzoic Acid Hybrids with Thiazolidin-2,4-diones with Antimicrobial Properties. ADMET and molecular docking evaluation

Marc¹,

Oniga²,

Pı̂rnău³

et al. 2019

Rev. Chim.

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The present paper presents the synthesis, physicochemical characterization, in vitro antimicrobial activity and the molecular docking study of a series of ten new thiazolidine-2,4-dione derivatives conjugated to para-aminobenzoic acid (PABA). The lipophilicity of the new molecules was evaluated in silico. Quantitative elemental C, H, N, S analysis and spectral data (mass spectrometry, infrared and nuclear magnetic resonance) were consistent with the expected data. The results of the antimicrobial activity screening revealed that some of the synthesized compounds had moderate to good activity against E. coli ATCC 25922, S. aureus, ATCC 6538P and C. albicans ATCC 10231.

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Antibacterial Evaluation and Virtual Screening of New Thiazolyl-Triazole Schiff Bases as Potential DNA-Gyrase Inhibitors

Cited by 44 publications

References 69 publications

Cu(II) Complexes of 4-[(1E)-N-{2-[(Z)-Benzylidene-amino]ethyl}ethanimidoyl]benzene-1,3-diol Schiff Base: Synthesis, Spectroscopic, In-Vitro Antioxidant, Antifungal and Antibacterial Studies

Cu(II) Complexes of 4-[(1E)-N-{2-[(Z)-Benzylidene-amino]ethyl}ethanimidoyl]benzene-1,3-diol Schiff Base: Synthesis, Spectroscopic, In-Vitro Antioxidant, Antifungal and Antibacterial Studies

Synthesis, Molecular Docking Studies, In Vitro Antimicrobial and Antifungal Activities of Novel Dipeptide Derivatives Based on N-(2-(2-Hydrazinyl-2-oxoethylamino)-2-oxoethyl)-Nicotinamide

Rational Synthesis of Some New para-Aminobenzoic Acid Hybrids with Thiazolidin-2,4-diones with Antimicrobial Properties. ADMET and molecular docking evaluation

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