In-situ Salen-type ligand formation-driven of a heterometallic Cu(II)-Hg(II) complex: Synthetic update, crystallographic features, DFT calculations, and unveil antimicrobial profiles

Majumdar, Dhrubajyoti; Roy, Sourav; Elizabeth Philip, Jessica; Tüzün, Burak; Hazra, Suman

doi:10.1016/j.inoche.2023.111933

Cited by 15 publications

(1 citation statement)

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“…Through the modification of diamines, such as fixing =N double bonds in a six-membered ring, the planarity of the ligands and their complexes was promoted. [1][2][3][4] The biological roles played by such transition metal complexes such as antidiabetic, antioxidant, and anticancer properties, are extremely significant. [5][6][7][8] Molybdenum metal has gained significant attention in recent years due to its ability to form stable complexes with appropriate ligands and also its presence in metalloenzymes.…”

Section: Introductionmentioning

confidence: 99%

Molybdenum (VI) Complexes and their Dual Role as Antidiabetic and Anticancer Agents

Saravanan,

Sheela

2024

ChemistrySelect

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Two molybdenum complexes, MoHL1 and MoHL2, are prepared from the corresponding tetradentate salen type (ONNO) ligands, HL1 and HL2, obtained from 3, 5‐dichloro salicylaldehyde, and substituted o‐phenylenediamines. The complexes are characterized by 1H NMR, FTIR, HRMS, and UV‐visible spectral techniques. The DFT studies provide insight into their structural parameters. The band gap energy and molecular orbital energies influence the charge transfer interactions within the molecule. Further, the complexes are assessed for their antioxidant efficacy, α–amylase inhibitory potential, binding propensity with deoxyribonucleic acid, and cytotoxicity studies against breast cancer cell line, MCF7. The DPPH assay demonstrates high radical scavenging ability, as evidenced by the IC50 value of 133.85±1.18 μg/mL, higher than ascorbic acid. From the results of α–amylase inhibitory assay, MoHL1 shows good inhibitory action with the IC50 value of 32.72±2.49 μg/mL higher than that of the standard acarbose. The absorption titration method, to track the binding interactions of the metal complexes with DNA, shows a marked hyperchromic effect indicating preferential binding of the complexes to the grooves of DNA helical structure. MoHL2 exerts higher cytotoxicity against cancer cell lines than MoHL1. Thus, the complexes have the potential to be developed as antidiabetic and anticancer agents.

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Section: Introductionmentioning

confidence: 99%

Molybdenum (VI) Complexes and their Dual Role as Antidiabetic and Anticancer Agents

Saravanan,

Sheela

2024

ChemistrySelect

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Synthesis and DFT Calculation of Hg²⁺ Fluorescence Chemosensor Based on a New Hybrid Organic–Inorganic Nanoporous Material of SBA‐Pr‐Is‐Hy

Panahande,

Mohammadi Ziarani,

Feizi‐Dehnayebi

et al. 2024

Applied Organom Chemis

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In this study, a new hybrid organic–inorganic nanoporous material of SBA‐Pr‐Is‐Hy was synthesized by modification of SBA‐15 with (3‐chloropropyl)triethoxysilane to get SBA‐Pr‐Cl, which was reacted with isatin hydrazone to obtain SBA‐Pr‐Is‐Hy. This new compound was characterized by different FT‐IR, TGA, SEM, EDX, XRD, and BET techniques. Fluorescence spectroscopy of SBA‐Pr‐Is‐Hy was studied. According to the results, it can detect the Hg2+ ion with a detection limit of 3.5 × 10−7 M among the other metal cations. Hg2+ ion is toxic and dangerous; it is very important to identify it with simple and efficient methods. DFT calculations, including molecular electrostatic potential (MEP) surface, geometry optimization, HOMO–LUMO analysis, and quantum chemical descriptors, were investigated utilizing the B3LYP/6‐311G(d,p)/LANL2DZ method. The DFT calculation verifies the experimental mechanism of interaction between the ligand and Hg2+.

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Transition Metal Complexes of Turmeric Schiff Base: A New Avenue for the Development of Antioxidant, Anti‐Inflammatory, and Preliminary Anticancer Therapies via In Silico, In Vitro, and In Vivo Assessments

Michael,

Jeyaraman,

Marimuthu

et al. 2024

Applied Organom Chemis

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In the current study, Knoevenagel condensates mediated by ultrasound were created using cinnamaldehyde and physiologically active curcumin. These Knoevenagel condensates have been reacted with 4‐aminoantipyrene to create curcumin Schiff bases. The octahedral geometry of the synthesized transition metal complexes is verified by a range of analytical methods and spectroscopic techniques. It is interesting to note that viscosity tests against calf thymus‐DNA and UV–visible absorption titration are used to confirm the synthetic drugs intercalative binding effectiveness. VLS3D online program was utilized to examine the properties of SWISS ADME. The experimental validation of antioxidant and anti‐inflammatory activity demonstrates that theoretical expectations align with the experimental findings. The minimum inhibitory concentration values of the synthesized complexes show that they are more effective against microbes than ligand. Density functional theory simulations were performed at the B3LYP/6–31G(d) level to examine the complexes' thermodynamic stability and physiological accessibility. Every synthetic molecule has been docked against the bovine serum albumin 3v03 enzyme.

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In-situ Salen-type ligand formation-driven of a heterometallic Cu(II)-Hg(II) complex: Synthetic update, crystallographic features, DFT calculations, and unveil antimicrobial profiles

Cited by 15 publications

References 72 publications

Molybdenum (VI) Complexes and their Dual Role as Antidiabetic and Anticancer Agents

Molybdenum (VI) Complexes and their Dual Role as Antidiabetic and Anticancer Agents

Synthesis and DFT Calculation of Hg²⁺ Fluorescence Chemosensor Based on a New Hybrid Organic–Inorganic Nanoporous Material of SBA‐Pr‐Is‐Hy

Transition Metal Complexes of Turmeric Schiff Base: A New Avenue for the Development of Antioxidant, Anti‐Inflammatory, and Preliminary Anticancer Therapies via In Silico, In Vitro, and In Vivo Assessments

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In-situ Salen-type ligand formation-driven of a heterometallic Cu(II)-Hg(II) complex: Synthetic update, crystallographic features, DFT calculations, and unveil antimicrobial profiles

Cited by 15 publications

References 72 publications

Molybdenum (VI) Complexes and their Dual Role as Antidiabetic and Anticancer Agents

Molybdenum (VI) Complexes and their Dual Role as Antidiabetic and Anticancer Agents

Synthesis and DFT Calculation of Hg2+ Fluorescence Chemosensor Based on a New Hybrid Organic–Inorganic Nanoporous Material of SBA‐Pr‐Is‐Hy

Transition Metal Complexes of Turmeric Schiff Base: A New Avenue for the Development of Antioxidant, Anti‐Inflammatory, and Preliminary Anticancer Therapies via In Silico, In Vitro, and In Vivo Assessments

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Synthesis and DFT Calculation of Hg²⁺ Fluorescence Chemosensor Based on a New Hybrid Organic–Inorganic Nanoporous Material of SBA‐Pr‐Is‐Hy