Synthesis, crystal structure, theoretical calculation, spectroscopic and antibacterial activity studies of copper(II) complexes bearing bidentate schiff base ligands derived from 4-aminoantipyrine: Influence of substitutions on antibacterial activity

Kargar, Hadi; Aghaei-Meybodi, Fariba; Behjatmanesh–Ardakani, Reza; Elahifard, Mohammad Reza; Torabi, Vajiheh; Fallah‐Mehrjardi, Mehdi; Tahir, Muhammad Nawaz; Ashfaq, Muhammad; Munawar, Khurram Shahzad

doi:10.1016/j.molstruc.2021.129908

Cited by 94 publications

(15 citation statements)

References 37 publications

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“…By convention, the color red depicts negative potential (electron‐rich), whereas colors towards blue represent positive potential (electron‐poor). [ 4,5 ]…”

Section: Resultsmentioning

confidence: 99%

“…[1][2][3] They have exhibited outstanding pharmacological characteristics on coordination with the metal ions such as anti-inflammatory, antimicrobial, neurological disorders, anticancer, and many more. [4][5][6] Metal-derived drugs have created a quest among researchers owing to the broad spectrum of applications in the myriad of medicinal biochemistry. Presently, they are employed globally as potential antimicrobial and chemotherapeutic agents.…”

Section: Introductionmentioning

confidence: 99%

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Synthesis, structural elucidation, biological screening, and density functional theory calculations of Cu(II), Ni(II), Mn(II), and Co(II) complexes of 20 Z‐N‐((Z)‐2‐(6‐nitrobenzo[d]thiazol‐2‐ylimino)‐1,2‐diphenylethylidene)‐5‐nitrobenzo[d]thiazol‐2‐amine Schiff base ligand

Shekhar

Sharma

Okolie

et al. 2022

Applied Organom Chemis

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The emerging Schiff base‐derived metal complexes are the building blocks for biomedical applications. Herein, novel Schiff base N,N′‐[(1Z,2Z)‐1,2‐diphenylethane‐1,2‐diylidene]bis(6‐nitro‐1,3‐thiazol‐2‐amine) and corresponding Cu(II), Ni(II), Mn(II), and Co(II) metal complexes were successfully synthesized and characterized. The characterization of ligand and corresponding metal complexes was carried out by employing elemental analysis, 1H and 13C nuclear magnetic resonance (NMR) spectroscopy, mass spectroscopy, Fourier transform infrared spectroscopy (FTIR) analysis, molar conductance, magnetic susceptibility measurements, electronic spectra, electronic paramagnetic resonance (EPR) and density functional theory (DFT) studies. DFT calculations at B3LYP/6‐311+G** level of theory have been executed to examine the equilibrium geometry of the ligand and metal complexes. Furthermore, total energy, highest‐occupied molecular orbital (HOMO) and lowest‐unoccupied molecular orbital (LUMO), and Mulliken atomic charges were reckoned. Tetrahedral geometry was observed in the case of the Ni(II) complex, and octahedral geometries were discerned for Cu(II), Mn(II), and Co(II), complexes. Docking studies were performed against the newly synthesized analogs with the active site of Escherichia coli (PDB ID: 3t88), Staphylococcus aureus (PDB ID: 3q8u), Candida Albicans (PDB ID: 3qlw), and Aspergillus flavus (PDB ID: 4ynt) receptors to recognize the interactions between complexes and identify their probable binding sites. Synthesized analogs were examined for in vitro antimicrobial activity employing both minimum inhibitory concentration and disk diffusion method against the aforementioned pathogens. The result for these pathogens suggested metal compounds evince higher activity in comparison to the free ligand.

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“…By convention, the color red depicts negative potential (electron‐rich), whereas colors towards blue represent positive potential (electron‐poor). [ 4,5 ]…”

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Synthesis, structural elucidation, biological screening, and density functional theory calculations of Cu(II), Ni(II), Mn(II), and Co(II) complexes of 20 Z‐N‐((Z)‐2‐(6‐nitrobenzo[d]thiazol‐2‐ylimino)‐1,2‐diphenylethylidene)‐5‐nitrobenzo[d]thiazol‐2‐amine Schiff base ligand

Shekhar

Sharma

Okolie

et al. 2022

Applied Organom Chemis

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“…38.27;H, 4.52;N, 5.71. IR data (KBr, cm -1 ): 3093, 1648, 1581, 1523, 1459, 1431, 1401, 1370, 1318, 1292, 1252, 1230, 1188, 1161, 1133, 1075, 1061. UV-Vis data in methanol [λ max (nm), ε (L•mol -1 • cm -1 )]: 239, 15370; 273, 9260; 340, 4535.…”

Section: Synthesis Of Complexmentioning

confidence: 99%

Zinc Complexes Derived from 5-Bromo-2-(((2-isopropylamino)ethyl)imino)methyl)phenol: Microwave-Assisted Synthesis, Characterization, Crystal Structures and Antibacterial Activities

Zhang

Liang

2021

ACSi

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Three new zinc complexes [Zn3L2(μ2-η1:η1-CH3COO)2(μ2-η2:η0-CH3COO)2] (1), [ZnCl2(HL)] (2) and [ZnBr2(HL)] (3), where L = 5-bromo-2-(((2-isopropylamino)ethyl)imino)methyl)phenolate, HL = 5-bromo-2-(((2-isopropylammonio) ethyl)imino)methyl)phenolate, have been synthesized under microwave irradiation. The complexes were characterized by elemental analyses, IR, UV-Vis spectra, molar conductivity, and single crystal X-ray diffraction. X-ray analysis revealed that the Zn atoms in complex 1 are in square pyramidal and octahedral coordination, and those in complexes 2 and 3 are in tetrahedral coordination. The molecules of the complexes are linked through hydrogen bonds and π···π interactions. In order to evaluate the biological activity of the complexes, in vitro antibacterial against Staphylococcus aureus, Bacillus subtilis, Escherichia coli and Pseudomonas aeruginosa was assayed.

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“…Metal complexes have had a major impact on the formation of metallodrugs [ 7 , 8 , 9 , 10 , 11 ]. The overview of heterocyclic compounds, which played a critical role in controlling biological activity [ 12 , 13 ], was the most significant achievement as in development of drug chemistry. It’s a common choice in biomedical studies for its simplicity of synthesis as well the enrollment of imidazole moieties in medicines, proteins, and enzymes.…”

Section: Introductionmentioning

confidence: 99%

Development of Metal Complexes for Treatment of Coronaviruses

El‐Lateef

El‐Dabea

Khalaf

et al. 2022

IJMS

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Coronavirus disease (SARS-CoV-2) is a global epidemic. This pandemic, which has been linked to high rates of death, has forced some countries throughout the world to implement complete lockdowns in order to contain the spread of infection. Because of the advent of new coronavirus variants, it is critical to find effective treatments and vaccines to prevent the virus’s rapid spread over the world. In this regard, metal complexes have attained immense interest as antibody modifiers and antiviral therapies, and they have a lot of promise towards SARS-CoV-2 and their suggested mechanisms of action are discussed, i.e., a new series of metal complexes’ medicinal vital role in treatment of specific proteins or SARS-CoV-2 are described. The structures of the obtained metal complexes were fully elucidated by different analytical and spectroscopic techniques also. Molecular docking and pharmacophore studies presented that most of complexes studied influenced good binding affinity to the main protease SARS-CoV-2, which also was attained as from the RCSB pdb (Protein Data Bank) data PDB ID: 6 W41, to expect the action of metal complexes in contradiction of COVID-19. Experimental research is required to determine the pharmacokinetics of most of the complexes analyzed for the treatment of SARS-CoV-2-related disease. Finally, the toxicity of a metal-containing inorganic complex will thus be discussed by its capability to transfer metals which may bind with targeted site.

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Synthesis, crystal structure, theoretical calculation, spectroscopic and antibacterial activity studies of copper(II) complexes bearing bidentate schiff base ligands derived from 4-aminoantipyrine: Influence of substitutions on antibacterial activity

Cited by 94 publications

References 37 publications

Synthesis, structural elucidation, biological screening, and density functional theory calculations of Cu(II), Ni(II), Mn(II), and Co(II) complexes of 20 Z‐N‐((Z)‐2‐(6‐nitrobenzo[d]thiazol‐2‐ylimino)‐1,2‐diphenylethylidene)‐5‐nitrobenzo[d]thiazol‐2‐amine Schiff base ligand

Synthesis, structural elucidation, biological screening, and density functional theory calculations of Cu(II), Ni(II), Mn(II), and Co(II) complexes of 20 Z‐N‐((Z)‐2‐(6‐nitrobenzo[d]thiazol‐2‐ylimino)‐1,2‐diphenylethylidene)‐5‐nitrobenzo[d]thiazol‐2‐amine Schiff base ligand

Zinc Complexes Derived from 5-Bromo-2-(((2-isopropylamino)ethyl)imino)methyl)phenol: Microwave-Assisted Synthesis, Characterization, Crystal Structures and Antibacterial Activities

Development of Metal Complexes for Treatment of Coronaviruses

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