Centro‐symmetric copper complex as a novel antitumor drug for therapeutic applications: Fabrication, structure, theoretical calculations, cytotoxicity, DNA binding/cleavage, and molecular docking

Zekrallah, M.; Mashaly, Mahmoud M.; Saif, M.; Fouad, R.

doi:10.1002/aoc.7003

Applied Organom Chemis

2023

DOI: 10.1002/aoc.7003

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Centro‐symmetric copper complex as a novel antitumor drug for therapeutic applications: Fabrication, structure, theoretical calculations, cytotoxicity, DNA binding/cleavage, and molecular docking

M. Zekrallah

Mahmoud M. Mashaly

M. Saif

et al.

Abstract: This study presents the fabrication and structural analysis of the newly synthesized Cu(AHC) 2 complex to explore its biological functionalities such as cytotoxicity, DNA binding, and DNA cleavage. For the Cu(AHC) 2 complex synthesis, the bioactive 3-acetyl-4-hydroxy coumarin (AHC) has been used as

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Cited by 3 publications

References 77 publications

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Selective Metal‐Coordinated Nanodrugs Based on Thiazine Moiety for Anticancer Therapeutics: Spectroscopic, Theoretical, and Molecular Docking Studies

Fouad,

Mahdi,

Adly

2024

Applied Organom Chemis

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The current study involved production, comprehensive structural analysis, and physicochemical characterizing of two distinctive complexes namely, Cu(TBH) and Zn(TBH); TBH donor ligand: N′‐(1‐(3,6‐dihydro‐4‐hydroxy‐2,6‐dioxo‐2H‐1,3‐thiazin‐5‐yl)ethylidene)‐2‐hydroxybenzohydrazide) using a wide range of analytical methods, including elemental analysis, UV–Vis, FT‐IR, and 1HNMR spectrometry, molar conductivity and magnetic susceptibility measurements, and thermal analysis. According to the findings, chelation can occur through O, N, and O donor atoms of monoanionic chelator for generating mono‐nuclear chelates with tetrahedral geometry for Cu (II) and octahedral geometry for Zn (II). The anticarcinogenic ability of TBH chelator and its coordinated compounds against human liver cancer (HepG‐2) was investigated. The Cu(TBH) complex was found to have selective and promising anticancer activity against a liver cancer cell line, with lower IC50 (liver carcinoma cell line) and higher IC50 (normal human cell line) values than other produced compounds and standard drugs. Utilizing DFT computations, the molecular structures of the TBH and its complexes were verified, offering a detailed understanding of their quantum chemical characteristics. A quantitative structure–activity relationship (QSAR) model, which illustrates the association between DFT‐computed descriptors and biological activities pIC50, was also created using multiple linear regression (MLR) on the synthesized compounds as anticancer medicines. Additionally, there are no issues with the produced compounds' oral bioavailability according to (ROF) Lipinski's rule of five. Furthermore, docking studies of the synthesized TBH chelator and its chelates with CDK2 kinase have been performed to validate the biological findings. According to our findings, the novel Cu(TBH) nanodrug exhibits considerable cytotoxic activity, prompting further study into its pharmacological profile and exploring its potential in drug development.

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Selective Metal‐Coordinated Nanodrugs Based on Thiazine Moiety for Anticancer Therapeutics: Spectroscopic, Theoretical, and Molecular Docking Studies

Fouad,

Mahdi,

Adly

2024

Applied Organom Chemis

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Synthesis of Copper and Cobalt complexes with a Hydrothermal Method and Their Applications in Antibiological Activity

Luo,

Wang,

et al. 2023

ChemistrySelect

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Two novel 2‐(1,2,4‐triazol‐1‐yl)‐4‐pyridyl acid complexes with Cu(ClO4)2 ⋅ 6H2O and Co(NO3)2 ⋅ 6H2O were synthesised and their biological activities were systematically studied in vitro. The interaction between the complex and DNA was determined by UV spectroscopy, yielding binding constants of 6.63×103 and 6.09×103, respectively. The DNA binding abilities of the complexes were also investigated using fluorescence spectroscopy, showing quenching values of 0.13 and 0.08, respectively. Agarose gel electrophoresis showed that both the copper and cobalt complexes could effectively cleave DNA. In addition, flow cytometry, cell morphology detection, and MTT assays showed that the synthesised complex induced apoptosis The experimental results show that the copper complexes have promising medicinal value as potential anticancer drugs.

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Synthesis and spectroscopic characterization of fluorescent 3-acetyl-4-hydroxy coumarin for biomedical and latent fingerprint applications

Fouad

Saif

Mashaly

et al. 2023

Journal of Molecular Structure

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Centro‐symmetric copper complex as a novel antitumor drug for therapeutic applications: Fabrication, structure, theoretical calculations, cytotoxicity, DNA binding/cleavage, and molecular docking

Cited by 3 publications

References 77 publications

Selective Metal‐Coordinated Nanodrugs Based on Thiazine Moiety for Anticancer Therapeutics: Spectroscopic, Theoretical, and Molecular Docking Studies

Selective Metal‐Coordinated Nanodrugs Based on Thiazine Moiety for Anticancer Therapeutics: Spectroscopic, Theoretical, and Molecular Docking Studies

Synthesis of Copper and Cobalt complexes with a Hydrothermal Method and Their Applications in Antibiological Activity

Synthesis and spectroscopic characterization of fluorescent 3-acetyl-4-hydroxy coumarin for biomedical and latent fingerprint applications

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