Metal complexes of novel Schiff base derived from iron sandwiched organometallic and 4‐nitro‐1,2‐phenylenediamine: Synthesis, characterization, DFT studies, antimicrobial activities and molecular docking

Mahmoud, Walaa H.; Deghadi, Reem G.

doi:10.1002/aoc.4289

Cited by 50 publications

(18 citation statements)

References 61 publications

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“…These observations suggest that the prepared vanadium mixed metal complexes had similar activity compared to our reported work earlier on vanadium complexes with triazole moiety [18,19]. It was reported that the biological activity of the used co-Ligands (L 2 , L 3 , and L 4 ) were moderate [56][57][58]. In our work it was observed the complexes with the co-ligand (L 4 ) containing thiol group showed better activity than the other complexes.…”

Section: Antimicrobial Testssupporting

confidence: 84%

Preparation, Antimicrobial Activity and Docking Study of Vanadium Mixed Ligand Complexes Containing 4-Amino-5-hydrazinyl-4H-1,2,4-triazole-3-thiol and Aminophenol Derivatives

et al. 2021

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The synthesis of mixed-ligand complexes is considered an important strategy for developing new metal complexes of enhanced biological activity. This paper presents the synthesis, characterization, in vitro antimicrobial assessment, and theoretical molecular docking evaluation for synthesized oxidovanadium (V) complexes. The proposed structures of the synthesized compounds were proved using elemental and different spectroscopic analysis. The antimicrobial tests showed moderate activity of the compounds against the Gram-positive bacterial strains and the fungal yeast, whereas no activity was observed against the Gram-negative bacterial strains. The performance of density functional theory (DFT) was conducted to study the interaction mode of the targeted compounds with the biological system. Calculating the quantitative structure-activity relationship (QSPR) was performed depending on optimization geometries, frontier molecular orbitals (FMOs), and chemical reactivities for synthesized compounds. The molecular electrostatic potentials (MEPs) that were plotted link the interaction manner of synthesized compounds with the receptor. The molecular docking evaluation revealed that the examined compounds may possess potential antibacterial activity.

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Section: Antimicrobial Testssupporting

confidence: 84%

Preparation, Antimicrobial Activity and Docking Study of Vanadium Mixed Ligand Complexes Containing 4-Amino-5-hydrazinyl-4H-1,2,4-triazole-3-thiol and Aminophenol Derivatives

et al. 2021

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“…In general, metal complexes were found to be more toxic than ligand 8 and showed greater activity than neomycin and the naturally occurring fungicide cycloheximide. Several other chromium metal complexes have been recently tested for their antimicrobial efficacy but were not found to be active [41][42][43][44][45].…”

Section: Introductionmentioning

confidence: 99%

Recent Studies on the Antimicrobial Activity of Transition Metal Complexes of Groups 6–12

Sovari

Zobi

2020

Chemistry

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Antimicrobial resistance is an increasingly serious threat to global public health that requires innovative solutions to counteract new resistance mechanisms emerging and spreading globally in infectious pathogens. Classic organic antibiotics are rapidly exhausting the structural variations available for an effective antimicrobial drug and new compounds emerging from the industrial pharmaceutical pipeline will likely have a short-term and limited impact before the pathogens can adapt. Inorganic and organometallic complexes offer the opportunity to discover and develop new active antimicrobial agents by exploiting their wide range of three-dimensional geometries and virtually infinite design possibilities that can affect their substitution kinetics, charge, lipophilicity, biological targets and modes of action. This review describes recent studies on the antimicrobial activity of transition metal complexes of groups 6–12. It focuses on the effectiveness of the metal complexes in relation to the rich structural chemical variations of the same. The aim is to provide a short vade mecum for the readers interested in the subject that can complement other reviews.

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“…When we analyzed the out of 8 predicted binding conformations of ligand, Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II), and Cd(II) with 6Y84 docking, the best confirmations exhibited that the free energies of binding (Δ G ) were − 6.0, − 7.6, − 10.1, − 8.5, − 5.9, − 7.7, − 4.6, and − 6.1 kcal/mol, respectively. All Schiff base complexes are binding through H-donor except ligand is binding by H-acceptor with 3.07, 3.03, 2.99, 2.98, 3.06, 302, 2.95, and 3.07 A° distances, respectively [ 38 , 46 , 47 ].…”

Section: Resultsmentioning

confidence: 99%

Synthesis, spectroscopic characterization, and thermal studies of novel Schiff base complexes: theoretical simulation studies on coronavirus (COVID-19) using molecular docking

2021

Self Cite

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Novel Schiff base ligand was prepared by the condensation of 2,2-(ethylenedioxy)bis(ethylamine) and imidazole-2-carboxaldehyde in a 1:2 ratio, and its complexes with Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II), and Cd(II) metal ions were synthesized in a 1:1 ratio. Various methods were used to identify the Schiff base ligand and complexes. Characterization techniques such as infrared, UV, and 1 H NMR spectral tests, elemental analysis, molar conductivity, magnetic properties, thermal analysis, BET surface area, and theoretically by DFT were used to help further understanding of the complex structures. For all complexes, the ligand behaved as a neutral tetradentate ligand with NOON donor atoms and spectroscopic studies indicated an octahedral structure. The electrolytic behavior of the complexes was revealed by the molar conductivity measurements. In addition, thermogravimetric analysis was used to investigate the decomposition of the complexes and Schiff base ligand. According to the results obtained, the antibacterial activity of the metal complexes is higher than that of the Schiff base ligand against one or more bacterial species. The results showed that Cd(II) complex exhibits enhanced activity against Aspergillus flavus and Ni(II) complex against Candida albicans than the standard drug ketoconazole. The Mn(II) complex had stronger activity against human breast cancer cell line (MCF-7) than the other complexes. Antiviral drug development is critical in the latest outbreak of a novel coronavirus (SARS-CoV-2). The new coronavirus was screened using molecular docking. Supplementary Information The online version contains supplementary material available at 10.1007/s13738-021-02359-w.

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Metal complexes of novel Schiff base derived from iron sandwiched organometallic and 4‐nitro‐1,2‐phenylenediamine: Synthesis, characterization, DFT studies, antimicrobial activities and molecular docking

Cited by 50 publications

References 61 publications

Preparation, Antimicrobial Activity and Docking Study of Vanadium Mixed Ligand Complexes Containing 4-Amino-5-hydrazinyl-4H-1,2,4-triazole-3-thiol and Aminophenol Derivatives

Preparation, Antimicrobial Activity and Docking Study of Vanadium Mixed Ligand Complexes Containing 4-Amino-5-hydrazinyl-4H-1,2,4-triazole-3-thiol and Aminophenol Derivatives

Recent Studies on the Antimicrobial Activity of Transition Metal Complexes of Groups 6–12

Synthesis, spectroscopic characterization, and thermal studies of novel Schiff base complexes: theoretical simulation studies on coronavirus (COVID-19) using molecular docking

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