Synthesis of new Cu(II), Ni(II), and Cd(II)-(N-Glycyl-L-leucine) complexes as peptide metalloantibiotics for targeting pathogenic water with antioxidant effect investigation Safaa S. Hassan, Eman F. Mohamed, Kirolos Maged, Salma Hassan, Alaa Omran Hamad, Shahinda Nasr, Salma Reda, Poula Nabil, Andrew George, Mohamed M. Shoukry, Samar A. Aly, Ahmed M. Mongy, Entsar E. Badr, Khaled A. Abou Elfetouh, Aml M. Saleh Beni Suef University Journal of Basic and Applied Sciences, 2025 Background In recent efforts to address the critical need for clean and portable water, we have focused on innovative methods to eliminate pathogenic microorganisms. To this aim, the N-Glycyl-L-leucine (Gly-Leu) peptide ligand was complexed with different transition metal ions [Cu(II), Ni(II), and Cd(II)] as new peptide metalloantibiotics. The compounds were characterized and examined using various analytical methods, including elemental analysis (CHN), Fourier transform infrared spectroscopy (FTIR), assessments of magnetic properties, molar conductivity, 1HNMR, thermogravimetric analysis (TGA), and mass spectroscopy. The ligand acted as a di-anionic molecule using the carboxylate and the deprotonated amide nitrogen atom. The coordination sites were completed with carbonyl oxygen atoms and a water molecule. The complexes showed polymeric structures using bridging carboxylate groups. Results The antibacterial properties of the synthesized metal chelate were evaluated using disk diffusion and minimum inhibitory concentration methods on bacterial organisms identified from water samples taken from the Nile River. At a 1 mg/mL dose, the Cu(II)-chelate showed the biggest inhibitory zone of 27 mm against Klebsiella pneumonia, with a MIC value of 62.5 μg/mL, greater than that of the common gentamicin medication. Molecular docking investigations supported these findings, showing that Cu(II)-chelate had the lowest binding energy of − 6.16 kcal/mol, indicating significant, beneficial interactions with the amino acids in the active region of bacterial proteins. Furthermore, the Cu(II) complex and the COVID-19 main protease showed encouraging results in the docking analysis, indicating that the complex may have antiviral properties and be able to inhibit viral propagation successfully. The metal chelates demonstrated noteworthy antioxidant activity, especially against 1,1-diphenyl-2-picrylhydrazyl (DPPH radicals). The IC50 values of the antioxidant assay for Ni(II) and Cu(II) chelates were extremely similar to ascorbic acid, a common antioxidant. Their notable antioxidant capacity was demonstrated by the IC50 values of (14.4, 15.5, and 18 µg/mL) for ascorbic acid, Ni(II), and Cu(II) chelates, respectively. Conclusions Our study successfully demonstrated the potential of a new Gly-Leu peptide ligand complexed with transition metal ions, particularly Cu(II), in eliminating pathogenic microorganisms from water. Cu(II)-chelate exhibited superior antibacterial properties, as confirmed by both experimental and molecular docking results. The chelates also displayed noteworthy antioxidant capacity, comparable to that of ascorbic acid. Additionally, the Cu(II)-chelate demonstrated promising antiviral potential, theoretically interacting effectively with the COVID-19 main protease, which suggests its ability to inhibit viral replication. These results underscore the potential of Cu(II)-chelate as a multi-functional compound with applications in water purification and therapeutic fields.
A Novel Potentiometric Sensor for Eletriptan hydrobromide based on 2, 6-di-O-methyl-β-Cyclodextrin-carbon nanotube platform: High Sensitivity and Wide Dynamic Range Basmat Amal Said, Eman Mohamed Shoukry, Eman Fares Mohamed, hassan Hendawy, Elmorsy A Khaled Egyptian Journal of Chemistry, 2025 The present study introduces a novel screen-printed planner potentiometric sensor for sensitive determination of eletriptan hydrobromide (ELE). Comprehensive and deep optimization trials were carried out concerning the nature and content of the sensing element, anionic sites, plasticizer, carbonaceous nanomaterial, performance under different pH values, and other electroanalytical parameters. Among the different fabricated sensors, the printed sensor integrated with the 2,6-di-o-methyl β-cyclodextrin-multiwall carbon nanotubes nanocomposites (β-CD/MWCNTs) exhibit ideal Nernstian slope value (59.7±0.6 mV decade-1) within a linear dynamic ELE concentration range from 10-8 to 10-3 mol L-1 and limit of detection 1.0×10-8 molL-1. Moreover, the presented disposable sensors show high potential stability with a prolonged operational lifetime, and a fast response time of 4s, representing an efficient analytical tool for fast and sensitive assay of ELE contents in authentic and marketed pharmaceutical tablets with acceptable average recoveries (100.11±1.3%).
Carbonaceous nanostructures platform for sensitive voltametric determination of Eletriptan hydrobromide Basmat Amal M Said, Eman M. Shoukry, Eman F. Mohamed, Hassan A.M. Hendawy, Elmorsy Khaled Egyptian Journal of Chemistry, 2024 The present study introduces a novel eletriptan hydrobromide (ELE) sensor based on carbonaceous nanostructures for sensitive voltametric determination of ELE in various pharmaceutical and biological samples. Comprehensive and deep optimization studies were carried out concerning the electrode matrix composition, modification mode, the effect of pH, and other electroanalytical parameters. Surface functionalization of the electrode surface with multiwall carbon nanotubes (MWCNTs) exhibited the highest electrochemical performance with a sharp oxidation peak at about 0.75 V in BR buffer pH 3. Based on the theoretical molecular orbital calculation studies on the ELE molecule and electroanalytical findings, the electrooxidation of ELE undergoes through oxidation of the amine nitrogen atom (N 2) with the transfer of one electron/proton in the electrode reaction. High sensitivity with linear calibration curve were reported within the ELE concentration range from 0.027 to 1.1 µg mL−1 with limit of detection 0.008 µg mL-1. The recorded sensitivity of the proposed sensors encouraged their applications for monitoring of ELE residues in pharmaceutical formulation and biological samples.
Macromolecules cross linked-metal organic frame works based sensors for determination of memantine hydrochloride Rehab El Attar, Eman Shoukry, Eman Mohamed, Safaa Omran, Elmorsy Khaled Egyptian Journal of Chemistry, 2023 Fabrication of electrochemical sensors by screen printing technology represents a promising approach for fabrication of a planner electrochemical sensor. Herein, a novel memantine hydrochloride (MEM) potentiometric disposable sensor was constructed based on β-cyclodextrin-metal organic framework-multiwall carbon nanotube composite (β-CD-MOF-MWCNTs) as a selective recognition element for memantine molecule. Improved sensitivity was recorded within the MEM concentration ranged from 10-6 to 10-2 molL-1 with a theoretical Nernstian compliance value 60.5±0.9 mV decade -1 and a limit of detection value of 7.0×10 -7 molL-1. The fabricated disposable sensors showed long shelf lifetime (24 weeks) and fast response time (3s) which may be attributed to the incorporation of covalently bonded ionophore nanocomposite within the electrode matrix. The modified sensors were applied for determination of MEM in biological and pharmaceutical samples with high precision and accuracy. The developed sensors integrated with β-CD-MOF-MWCNTs offer approach for monitoring of the dissolution and degradation studies of memantine.
Synthesis, DFT, Antibacterial and Molecular Docking Studies of Novel La(III) Complex of Benzo-Chromen Substituted Thiosemicarbazide Eman Mohamed Egyptian Journal of Chemistry, 2022 1-(1-(3-oxo-3H-benzo[f]chromen-2-yl)ethylidene)thiosemicarbazide (OCETSC) and its La(III) complex was synthesized, the characterization was disbursed by elemental analysis, IR, UV–Visible, mass, magnetic measurement and molar conductance techniques. Data interpretation of the La(III) complex indicates that the complex was formed with a stoichiometric ratio of 1:2 (La: ligand). The studied ligand act as a bidentate ligand by using both azomethine nitrogen and thiol sulfur as monoanionic center of donation. The theoretical conformational structure analyses were performed using density functional theory (DFT) for ligand and complex at B3LYP functional with 6-31G(++)d,p basis set for ligand and LANL2DZ basis set for the complex. The charge distribution within the ligands and its La(III) complex was calculated using Mulliken population analysis of (MPA) and natural population analysis (NPA). The antibacterial activity of the prepared compounds was tested against some kinds of Gram-positive and negative bacteria. Molecular docking investigation proved that the ligand and complex had interesting interactions with active site amino acids of ribosyltransferase (code: 3GEY).
Novel simple enzymatic potentiometric approach for toxicological assessment of anticholinesterase and Alzheimer's drugs Enzymatic approach toxicological assessment RehabO El-Attar, Safaa Omran, EmanM Shoukry, EmanF Mohamed, Elmorsy Khaled Egyptian Pharmaceutical Journal, 2022 Background and objectives A simple and sensitive enzymatic potentiometric biosensor has been developed for toxicological studies of anticholinesterase drugs based on their inhibitory effect on cholinesterase activity. To verify the applicability, eight pharmaceutical formulations for Alzheimer′s treatment were assayed, namely rivastigmine, pyridostigmine, cyclopentolate, memantine, meclofenoxate, carbamazepine, oxfendazole, and methotrexate. Materials and methods Disposable screen-printed potentiometric sensors were utilized for monitoring the cholinesterase activity. The reaction conditions including the optimal enzyme substrate, incubation periods, and the linearity range for each drug were optimized for each drug. Results and conclusion Different sensitivities within subnanogram levels were reported based on the inhibitory effect of the aforementioned pharmaceutical compounds and their LD50 value. The proposed method showed improved sensitivity for the investigated compounds compared with their reported electroanalytical approaches. The introduced analysis protocol was successfully utilized for assaying the cited drugs in their pharmaceutical and environmental samples using a portable measuring system. Moreover, the toxicity of the pharmaceutical compounds against in-vitro cholinesterase enzymes studies can be performed with simple instrumentation requirements.
The dual therapeutic effect of metformin nuclei-based drugs modified with one of Tulbaghia violacea extract compounds Safaa S. Hassan, Elaria A. Bedir, Abd El‐Rahman M. Hamza, Ahmed M. Ahmed, Nouran M. Ibrahim, Mahmoud S. Abd El‐Ghany, Nada N. Khattab, Bassant M. Emeira, Mabrook M. Salama, Eman F. Mohamed, Dalia B. Fayed Applied Organometallic Chemistry, 2022 Novel Schiff base was synthesized from the condensation reaction of metformin with [4‐(Diethylamino) benzaldehyde (NBM). Different metal complexes were prepared using Pd (II), Pt (II), Cu (II), and V (IV) metal ions. All complexes showed the nonelectrolytic behavior. So, the expected molecular formulas for complexes were [Pd (NBM)Cl 2 ], [Pt (NBM)Cl 2 ], [Cu (NBM) 2 Cl 2 ] and [VO (NBM) 2 ]. The cytotoxicity of (NBM) Schiff base and its metal complexes on human cancer cell line, MCF‐7, was investigated. V (IV) and Cu (II) complexes showed potential blood glucose lowering effect higher than the commercial metformin drug. VO (II) complex has superior antioxidant activity more than the other synthesized compounds and the standard ascorbic acid. Molecular docking investigation proved the presence of interesting interactions between all synthesized compounds with the active site amino acids of EGFR tyrosine kinase (anticancer activity). The molecular docking of metal complexes has observed effective inhibition for the specific mTOR protein that is expected to aid the growth of the COVID‐19 virus.
