Synergistic antibacterial and anticancer activity in gadolinium–chitosan nanocomposite films: A novel approach for biomedical applications DOI
Khaled D. Khalil, Ali H. Bashal, Talaat H. Habeeb

et al.

Applied Organometallic Chemistry, Journal Year: 2024, Volume and Issue: 38(8)

Published: May 27, 2024

Driven by the continuous search for materials with antibacterial and anticancer applications, this study focuses on fabrication of nanocomposite films using chitosan as basis material, addition gadolinium oxide nanoparticles at varying weight percentages (5 10 wt.% Gd 2 O 3 /CS). The were made coprecipitation‐solution cast approach. structural characteristics /CS that formed investigated confirmed a range analytical techniques, including Fourier transform infrared, X‐ray diffraction, scanning electron microscopy–energy‐dispersive spectroscopy. diffraction provided unambiguous evidence an increased degree crystallinity in inclusion gadolinia. particle size was determined Debye–Scherrer formula, resulting estimated value 36 nm. Following this, thorough examination undertaken to evaluate effectiveness against one strain Gram‐positive bacteria two strains Gram‐negative bacteria. Our research has revealed efficacy inspected bactericides is superior CS alone. Furthermore, MCF‐7, HCT‐116, HepG‐2 cell lines exhibited activity when exposed nanocomposites. In addition, nanocomposites exhibit significant antioxidant comparison conventional vitamin C. These findings provide viability our combating breast cancer.

Language: Английский

Cobalt(II), nickel(II), copper(II) and zinc(II) complexes of thiadiazole based Schiff base ligands: Synthesis, structural characterization, DFT, antidiabetic and molecular docking studies DOI
Yogesh Deswal, Sonika Asija, Amit Dubey

et al.

Journal of Molecular Structure, Journal Year: 2021, Volume and Issue: 1253, P. 132266 - 132266

Published: Dec. 24, 2021

Language: Английский

Citations

113
Synthesis, characterization, DNA binding, and biological action of dimedone arylhydrazone chelates DOI
Mohamed A. El‐Bindary, A.A. El-Bindary

Applied Organometallic Chemistry, Journal Year: 2022, Volume and Issue: 36(4)

Published: Jan. 13, 2022

Abstract A chain of metal(II) chelates that M = Co 2+ , Ni and Cu have been produced from 2‐(4‐sulfadiazine)hydrazono dimedone ( HL ) characterized on analyses elemental, Fourier‐transform infrared (FTIR) spectra, electronic, susceptibility to magnetic fields, molar conductance. The are nonelectrolytes, according measurements Spectroscopy methods additional analytical detect pseudo octahedral shape chelates, but square planar structure for chelate. ligand acts as a monobasic bidentate by coordinating via oxygen atom the carbonyl (C═O) group nitrogen hydrazone moiety (NH) with deprotonation. enhanced, bond angles, lengths, quantum chemical factors were used determine its complexes. Absorption spectra method viscosity investigate DNA linking activity. In viability experiment vinblastine colchicine, findings synthesized compounds against human cancer cell lines MCF‐7 HepG‐2 reported in contrast positive controls. antioxidant function is resolute means free radical‐scavenging analyze (DPPH). As final point, antimicrobial effects studied utilizing diffusion disc technique fungal Candida albicans ), gram‐positive Staphylococcus aureus gram‐negative Escherichia coli bacteria.

Language: Английский

Citations

86
Fabrication, structural elucidation, theoretical, TD-DFT, vibrational calculation and molecular docking studies of some novel adenine imine chelates for biomedical applications DOI
Ahmed M. Abu‐Dief, Nouf H. Alotaibi, Eida S. Al‐Farraj

et al.

Journal of Molecular Liquids, Journal Year: 2022, Volume and Issue: 365, P. 119961 - 119961

Published: July 30, 2022

Language: Английский

Citations

82
Fabrication, structural elucidation of some new metal chelates based on N-(1H-Benzoimidazol-2-yl)-guanidine ligand: DNA interaction, pharmaceutical studies and molecular docking approach DOI
Ahmed M. Abu‐Dief, Rafat M. El‐Khatib, Tarek El‐Dabea

et al.

Journal of Molecular Liquids, Journal Year: 2023, Volume and Issue: 386, P. 122353 - 122353

Published: July 13, 2023

Language: Английский

Citations

73
Design, Synthesis, Spectroscopic Inspection, DFT and Molecular Docking Study of Metal Chelates Incorporating Azo Dye Ligand for Biological Evaluation DOI Open Access

Mohamed Ali Ibrahim Al-Gaber,

Hany M. Abd El‐Lateef, Mai M. Khalaf

et al.

Materials, Journal Year: 2023, Volume and Issue: 16(3), P. 897 - 897

Published: Jan. 17, 2023

A new heterocyclic azo dye ligand (L) was synthesized by the combination of 4-amino antipyrine with 4-aminophenol. The Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II), and Cd(II) complexes were in excellent yields. metal chelate structures elucidated using elemental analyses, FT-IR, 1H-NMR, mass, magnetic moment, diffused reflectance spectral thermal analysis (TG-DTG), molar conductivity measurement. According to FT-IR study, exhibited neutral tri-dentate behavior, binding ions N, carbonyl O, protonated phenolic OH. 1H-NMR study Zn(II) complex supported coordination zo without proton displacement Diffused moment studies revealed octahedral geometry complexes, as well their good electrolytic nature, excepting which nonelectrolytes, deduced from study. theoretical calculations optimized HOMO-LUMO energies, geometrical parameters, electronic spectra, natural atomic charges, 3D-plots MEP, vibrational wavenumbers computed LANL2DZ 6-311G (d, p) basis sets density functional theory (DFT) approach B3LYP DFT TD-DFT methods. have been assayed for antimicrobial activity compared standard drugs. Most manifested against various microbial strains. molecular docking investigation also performed, acquire more information about mode energy its Escherichia coli receptor docking. Altogether, newly created showed positive antibacterial effects are worth future

Language: Английский

Citations

58
Recent Overview of Potent Antioxidant Activity of Coordination Compounds DOI Creative Commons
Hany M. Abd El‐Lateef, Tarek El‐Dabea, Mai M. Khalaf

et al.

Antioxidants, Journal Year: 2023, Volume and Issue: 12(2), P. 213 - 213

Published: Jan. 17, 2023

During recent decades, the complexation of organic ligands toward several metal ions s-p and d-block has been applied as a plan to enhance its antioxidant performance. Due their wide range beneficial impacts, coordination compounds are widely used in industries, specifically medicinal pharmaceutical fields. The activity is generally improved by chelation consequently knowing that characteristics both metals can lead development greatly active compounds. Chelation substitute for using traditional synthetic antioxidants, because chelates present benefits, including variety geometry, oxidation states, number, assist favor redox methods associated with action. As well understanding best studied anti-oxidative assets these compounds, involved free radical scavenging process protecting human organisms from opposing effects radicals. ability be assessed various interrelated systems. methodological modification offers most knowledge on property chelates. Colorimetric techniques used, though electron paramagnetic resonance (EPR) an alternative metallic since color does not affect results. Information about systems, restrictions, permits dependable valuation performance assisting application states wherever drugs required, such food protection, appropriate good-packaged foods, dietary supplements, others. Because new exhaustive analysis ligands, it become separate field research chemistry. investigation will respected providing foundation properties future tests building high-quality antioxidative

Language: Английский

Citations

55
Designing of some novel Pd(II), Ni(II) and Fe(III) complexes: Synthesis, structural elucidation, biomedical applications, DFT and docking approaches against Covid-19 DOI Open Access
Ahmed M. Abu‐Dief, Musa A. Said, Omar M. Elhady

et al.

Inorganic Chemistry Communications, Journal Year: 2023, Volume and Issue: 155, P. 110955 - 110955

Published: June 21, 2023

Language: Английский

Citations

50
Innovation of some novel complexes based on 1‐(4‐nitrophenyl)‐1H‐1,2,3‐triazol‐4‐yl)methanol ligand: Synthesis, structural elucidation DFT calculation and pharmaceutical studies DOI
Hessah A. AL-Abdulkarim, Hamza A. Qasem, Mohamed Reda Aouad

et al.

Applied Organometallic Chemistry, Journal Year: 2024, Volume and Issue: 38(6)

Published: April 25, 2024

Novel divalent chelates of Co (II), Cu Zn (II) and Ni were prepared described the form [M (NTM)(CH 3 COO) 2 ] where NTM = [1‐(4‐nitrophenyl)‐1H‐1,2,3‐triazol‐4‐yl)methanol ligand. Elemental analyses, infrared red, 1 H 13 CNMR, electronic, magnetic susceptibility, conductivity measurements X‐ray diffraction studies used to assess our metal complexes. Moreover, stability stoichiometry novel examined through job's method in solutions. Correlation all spectroscopic techniques states that acts as a bi‐dentate NO ligand afford octahedral complex geometry for investigated chelates. Thermodynamic kinetics factors various thermal degradation phases calculated. B3LYP/LANL2DZ/6‐311 g(d,p) theoretical study has been applied estimating MEP quantum chemical reactivity descriptors studied molecules. UV–Vis absorption spectra molecules are predicted via time‐dependent DFT (TD‐DFT) calculations. In addition, MOE‐ docking was tested on two different proteins, receptor (3HB5) breast cancer mutant oxidoreductase well Glucosamine‐6‐phosphate synthase with glucosamine‐6‐ phosphate (2VF5) E.coli COVID‐19 protease. The results recommended (NTMCo), (NTMNi), (NTMCu) (NTMZn) complexes showed highest inhibitory activity compared other ligands antimicrobial candidates. Furthermore, in‐vitro anti‐bacterial, anti‐fungal, cytotoxic anti‐oxidant performances selected its studied. All presented superiority, proceeding free organic ineffective management, definitely NTMCu complex.

Language: Английский

Citations

42
Synthesize, structural inspection, stoichiometry in solution and DFT calculation of some novel mixed ligand complexes: DNA binding, biomedical applications and molecular docking approach DOI
Ahmed M. Abu‐Dief, Tarek El‐Dabea, Rafat M. El‐Khatib

et al.

Journal of Molecular Liquids, Journal Year: 2024, Volume and Issue: 399, P. 124422 - 124422

Published: March 11, 2024

Language: Английский

Citations

37
Design, preparation, physicochemical characterization, structural conformational, biological evaluation, and DNA interaction for some new benzimidazole complexes DOI
Ahmed M. Abu‐Dief, Rafat M. El‐Khatib, Tarek El‐Dabea

et al.

Applied Organometallic Chemistry, Journal Year: 2024, Volume and Issue: 38(3)

Published: Jan. 8, 2024

New Cu (II), VO Ag(I), and Pd (II)‐[BIP = 4,6‐dimethyl‐N‐(octahydro‐2H‐benzimidazol‐2‐ylidene)pyrimidin‐2‐amine] chelates have been synthesized by the reaction of BIP ligand resulting from condensation benzimidazole guanidine as well acetylacetone with tested metal salts. The suggested structures prepared compounds investigated spectroscopically through (FT‐IR, NMR, Mass spectra, UV–Vis spectra), CHN analyses, conductivity, pH stability asmagnetic moment measurements. TGA studies also studied to govern thermal behavior, stability, decomposition chelates. Structural study exposed their chemical transformation chelation metals. predicted a hexa‐coordinated geometry for chelates, whereas tetra‐coordinated Ag DFT/B3LYP theoretical method was applied obtain optimized geometry, molecular electrostatic potential (MEP) surface, HOMO‐LUMO analysis compounds. For estimation in vitro study, all screened biochemical features, including antioxidant, antimicrobial performances, cytotoxicity. antioxidant performance molecules has DPPH displayed close against standard drugs. cytotoxic estimated various cancer cell lines: (Hep‐G2, HCT‐116, MCF‐7) using MTT calculated viability corresponding human cell. DNA binding capability evaluated absorption spectroscopic, viscosity estimation, gel electrophoresis. outcomes good tendency constant 1.01 × 10 4 1.99 M −1 order BIPCu> BIPVO > BIPPd BIPAg, respectively. Finally, docking simulation results indicated that complexes were located intercalation site confirmed experimental findings.

Language: Английский

Citations

35