A binuclear chloride bridged Cu(II) and a mononuclear Ni(II) complex: Synthesis, crystal structure, photo catalytic and biological studies

Jana, Kalyanmoy; Maity, Ribhu; Puschmann, Horst; Mitra, Anindita; Ghosh, Rita; Debnath, Subhas Chandra; Shukla, Aparna; Mahanta, Arun Kumar; Maity, Tithi; Samanta, Bidhan Chandra

doi:10.1016/j.ica.2020.120067

Cited by 14 publications

(8 citation statements)

References 72 publications

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“…The calculated bond angle (°) values of 8N−Ni−3N, 31N−Ni−8N, 36N−Ni−15N, 3N−Ni−31N, 43N−Ni−36N and 15N−Ni−43N are found to be in the range 97.12–125.57, 110.92–115.67, 109.79–130.54, 121.76–135.25, 125.56–138.21 and 101.76–111.59 for the nickel(II) complexes ( 1 – 4 ), 8N−Cu−3N, 31N−Cu−8N, 36N−Cu−15N, 3N−Cu−31N, 43N−Cu−36N and 15N−Cu−43N are found to be in the range 99.24–132.66, 110.42–122.14, 118.33–169.71, 15.01–165.81, 121.38–147.69 and 118.08–124.71 for the copper(II) complexes ( 5 – 8 ), and 8N−Zn−3N, 31N−Zn−8N, 36N−Zn−15N, 3N−Zn−31N, 43N−Zn−36N and 15N−Zn−43N are found to be in the range 107.53–130.42, 109.88–124.21, 120.65–128.02, 108.83–149.11, 129.03–154.20 and 92.98–120.75 for the zinc(II) complexes ( 9 – 12 ), respectively. The deviation in the bond length values are found to be 0.012–0.014, 0.010–0.011, 0.015–0.019, 0.013–0.024, 0.011–0.016 and 0.167–0.179 (Å) for nickel(II) complexes ( 1 – 4 ), 0.010–0.012, 0.011–0.015, 0.010–0.017, 0.014–0.023, 0.012–0.016 and 0.159–0.161 (Å) for copper(II) complexes ( 5 – 8 ), and 0.012–0.013, 0.010–0.014, 0.017–0.020, 0.012–0.020, 0.010–0.014 and 0.165–0.175 (Å) for zinc(II) complexes ( 9 – 12 ), whereas that of the bond angles are found to be 1.0–1.5, 0.9–1.3, 1.1–1.5, 0.9–1.4, 1.3–1.5 and 1.4–2.4° for nickel(II) complexes ( 1 – 4 ), 0.9–1.3, 0.8–1.2, 1.0–1.4, 1,1–1.2, 1.2–1.6 and 1.5–2.7° for copper(II) complexes ( 5 – 8 ), and 1.0–1.6, 1.0–1.5, 1.1–1.5, 0.9–1.2, 1.2–1.4 and 1.3–2.3° for zinc(II) complexes ( 9 – 12 ), respectively, which are reliable with the reported crystallographic data [38] …”

Section: Resultssupporting

confidence: 90%

“…All the synthesized ligands (L [1][2][3][4] ) and their metal(II) complexes (1)(2)(3)(4)(5)(6)(7)(8)(9)(10)(11)(12) were optimized in the gas phase using the B3LYP/6-31G and LANL2DZ basis set levels and the optimized ground state geometry structures are given in Figures 4, and found to be 0.012-0.014, 0.010-0.011, 0.015-0.019, 0.013-0.024, 0.011-0.016 and 0.167-0.179 (Å) for nickel(II) complexes (1-4), 0.010-0.012, 0.011-0.015, 0.010-0.017, 0.014-0.023, 0.012-0.016 and 0.159-0.161 (Å) for copper(II) complexes (5-8), and 0.012-0.013, 0.010-0.014, 0.017-0.020, 0.012-0.020, 0.010-0.014 and 0.165-0.175 (Å) for zinc(II) complexes (9-12), whereas that of the bond angles are found to be 1.0-1.5, 0.9-1.3, 1.1-1.5, 0.9-1.4, 1.3-1.5 and 1.4-2.4°for nickel(II) complexes (1-4), 0.9-1.3, 0.8-1.2, 1.0-1.4, 1,1-1.2, 1.2-1.6 and 1.5-2.7°for copper(II) complexes (5-8), and 1.0-1.6, 1.0-1.5, 1.1-1.5, 0.9-1.2, 1.2-1.4 and 1.3-2.3°for zinc(II) complexes (9-12), respectively, which are reliable with the reported crystallographic data. [38]…”

Section: Geometry Optimizationmentioning

confidence: 99%

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Theoretical, DNA/BSA Binding, Molecular Docking and In Vitro Cytotoxicity Studies of Homoleptic Metal(II) Complexes Derived from 2‐Formylpyridine‐Based Ligands

Jayathuna,

Rajagopal,

Anand

et al. 2024

ChemistrySelect

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A new class of homoleptic metal(II) complexes of general formula [M(L1–4)2]2Cl in which L1=1‐([1,1′‐biphenyl]‐4‐yl)‐N‐(2‐((‐pyridin‐2‐ylmethylene)amino)ethyl)methanimine, L2=1‐([1,1′‐biphenyl]‐4‐yl)‐N‐(2‐((‐pyridin‐2‐ylmethylene)amino)phenyl)methanimine, L3=1‐([1,1′‐biphenyl]‐4‐yl)‐N‐(2‐((‐pyridin‐2‐ylmethylene)amino)‐4‐nitrophenyl)methanimine and L4=4‐(([1,1′‐biphenyl]‐4‐ylmethylene)amino)‐3‐((−pyridin‐2‐ylmethylene)amino)benzophenone, and M=Ni(II) (1–4), Cu(II) (5–8) and Zn(II) (9–12) have been synthesized and characterized. The IR spectra reveal the involvement of azomethine and 2‐formylpyridine ring nitrogen atoms in chelation. The UV‐Vis and EPR spectral studies envisage distorted octahedral geometry around metal(II) ion. All the complexes were stable for 72 h in biologically relevant solutions, and copper(II) complexes were reduced to Cu+ center in the presence of ascorbic acid solution. The binding studies of complexes with calf thymus DNA (CT‐DNA) indicate groove mode of binding, and the complexes 3, 7 and 11 containing the 4‐nitrophenyl substituent exhibit the highest binding affinity than the other complexes. Furthermore, the spectral studies also revealed the interaction of complexes with BSA through static mechanism. In vitro cytotoxicity activity of the complexes was screened against human lung adenocarcinoma (A549) and breast adenocarcinoma (MCF‐7) cancerous, and normal murine fibrosarcoma (L929) cell lines. The molecular docking studies of the homoleptic metal(II) complexes show hydrophobic, π–π, σ–π and hydrogen bonding interactions with EGFR/VEGFR2 kinase receptors.

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Section: Resultssupporting

confidence: 90%

Section: Geometry Optimizationmentioning

confidence: 99%

Theoretical, DNA/BSA Binding, Molecular Docking and In Vitro Cytotoxicity Studies of Homoleptic Metal(II) Complexes Derived from 2‐Formylpyridine‐Based Ligands

Jayathuna,

Rajagopal,

Anand

et al. 2024

ChemistrySelect

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“…23 Therefore, the decrease in absorption suggested an appreciable interaction between the complex and DNA. 24 The binding efficiency of the complex has also been primarily checked by involving fluorescence emission studies. The title complex shows emission at 510 nm in the absence of DNA.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

“…The changes in the absorption may include either an increase or decrease as these changes are very much of concern to the double-helical structure of DNA . Therefore, the decrease in absorption suggested an appreciable interaction between the complex and DNA …”

Section: Resultsmentioning

confidence: 99%

In Vitro Insight on Antifungal-Specific Potentiality of Ni(II) Complex against Colletotrichum siamense and Fusarium equisetum Phytopathogens

Maity,

Sarkar

et al. 2023

ACS Appl. Bio Mater.

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In an initiation to investigate a prospective bioactive compound, a mononuclear Ni(II) complex with N, N, and O donor Schiff base ligand was synthesized and characterized in the present study through FTIR, ESI-mass, and X-ray crystallographic diffraction studies. A slightly distorted octahedral geometry has been obtained for the Ni(II) complex from X-ray crystallographic diffraction studies. In vitro comprehensive biological studies show the antifungal specific efficiency of the complex against Colletotrichum siamense (AP1) and Fusarium equisetum (F.E.) pathogens, which are responsible for anthracnose and wilt disease, respectively, but no inhibitory effect on both Gram-positive and Gram-negative bacteria. The minimum inhibitory concentration (MIC) for these pathogens was observed to be 0.25 and 0.5 mM, respectively. The experiment also reveals that significant damage of mycelia and enlarged, misshaped damaged spores are noticed in comparison to hexaconazole, used as a positive control under a light microscope post 48 h treatment of AP1 and F.E. with the MIC of the complex. The binding interaction studies of the complex with DNA and BSA performed through a variety of spectroscopic techniques demonstrate a strong binding behavior of the complex for both the binding systems. The observed negative ΔH° and ΔS° values for DNA reveal the existence of hydrogen-bonding/van der Waals interactions for DNA which was also exemplified from the molecular docking and self-assembly studies of the complex. The positive ΔH° and ΔS° values for BSA demonstrate the hydrophobic interactions of the complex with BSA. However, cytotoxicity studies against the MDA-MB-231 breast cancer cell line did not demonstrate any significant potentiality of the complex as an anticancer agent. All the bio-experimental studies provide clear evidence that the synthesized Ni(II) complex exhibits potential antifungal activity and could be used as a therapeutic fungicide agent in comparison to hexaconazole in agricultural practices.

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“…Therefore, it is assumed that the death cases due to pancreatic cancer will beat those of breast cancer by 2025 as found in the study of 28 European countries . In the recent past, structurally novel transition metal complexes have found extensive applications for various biological activities due to their importance in improving the human health. − The relevance of nickel for biological applications has improved after its identification as the active center in urease and other enzymes. , There are several nickel(II) complexes that have been extensively explored for their importance in various biological activities such as antimicrobial, − antiproliferative, antioxidant, − and antibacterial. − …”

Section: Introductionmentioning

confidence: 99%

Nickel Complexes Bearing ONS Chelating Ligands: A Promising Contender for In Vitro Cytotoxicity Effects on Human Pancreatic Cancer MIA-PaCa-2 Cells

Tanwar

Kaur

Kumar

et al. 2023

ACS Appl. Bio Mater.

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The highly chronic human pancreatic cancer cell is one of the major reasons for cancerous death. Nickel complexes are recently gaining interest in anticancer activities on different types of cancer cells. Hence, in this study, we synthesized and characterized a series of ONS donor ligands [2- 5), and [(L6−H) 2 Ni] (6). The singlecrystal X-ray diffraction data of complexes 1 and 4 were collected to elucidate the geometry around the metal center. The anticancer activity of complexes 1− 6 was investigated on human pancreatic cancer cell line MIA-PaCa-2, which revealed that complexes 4 and 6 were the most significantly effective in decreasing the cell viability of cancer cells at the lowest dose. The structure parameters obtained from singlecrystal X-ray diffraction data are found to be in good agreement with the data from density functional theory and Hirshfeld surface analysis for complex 1.

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A binuclear chloride bridged Cu(II) and a mononuclear Ni(II) complex: Synthesis, crystal structure, photo catalytic and biological studies

Cited by 14 publications

References 72 publications

Theoretical, DNA/BSA Binding, Molecular Docking and In Vitro Cytotoxicity Studies of Homoleptic Metal(II) Complexes Derived from 2‐Formylpyridine‐Based Ligands

Theoretical, DNA/BSA Binding, Molecular Docking and In Vitro Cytotoxicity Studies of Homoleptic Metal(II) Complexes Derived from 2‐Formylpyridine‐Based Ligands

In Vitro Insight on Antifungal-Specific Potentiality of Ni(II) Complex against Colletotrichum siamense and Fusarium equisetum Phytopathogens

Nickel Complexes Bearing ONS Chelating Ligands: A Promising Contender for In Vitro Cytotoxicity Effects on Human Pancreatic Cancer MIA-PaCa-2 Cells

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