BioInorganic chemistry
Coordination chemistry
Theoretical inorganic chemistry
Metal complexes
Molecular docking
DNA binding
Anticancer activity
Thermal analysis
104
Scopus Publications
2512
Scholar Citations
32
Scholar h-index
65
Scholar i10-index
Scopus Publications
Synergistic Antitumor Potential of Propolis With 6‑Mercaptopurine and 5‑Fluorouracil Abdullah Ahmed A. Majami, Ehab M. M. Ali, Abdulaziz A. Kalantan, Mostafa A. Hussien, Aya A. Elashkar, et al. Cell Biochemistry and Function, 2026 6‐MP and 5‐FU are effective anticancer drugs; still, their efficacy is limited by inadequate solubility and dose‐dependent toxicity. Propolis, high in bioactive chemicals, was investigated for its synergistic effects to improve efficacy. GC‐MS analysis found 20 bioactive chemicals that were docked against cyclin‐dependent kinase 2 and aromatase. Compounds 1,3‐dipalmitin and rac‐1‐oleoyl‐3‐linoleoylglycerol demonstrated the highest affinities (− 10.93 to −13.18 kcal/mol), indicating possible inhibition of cell cycle and estrogen biosynthesis regulators. Co‐treatment with propolis and chemotherapeutic exhibited a marked reduction of IC₅₀ values in both MCF‐7 and HepG2 cells, with the most significant reduction for the 5‐FU–propolis combination (IC₅₀ of 12.0 µg/mL) compared with 5‐FU alone (26.2 µg/mL in MCF‐7 and 15.8 µg/mL in HepG2). The Chou–Talalay analysis confirmed synergy (CI < 1), for 5 FU with propolis (CI = 0.46 in MCF 7). Combination therapy elicited S‐phase arrest, also impairing mitochondrial membrane potential and altering the path of cell death toward necrosis and late‐stage apoptosis. Propolis serves as a prospective chemotherapeutic adjuvant that enhances the anticancer efficacy of 6‐MP and 5‐FU, allowing dose reduction, minimizing toxicity, and potentially overcoming drug resistance in breast cancer treatment. However, the therapeutic use of this synergistic technique requires confirmation via pharmacokinetic profiling, extensive vivo research, and considered clinical trials.
Synthesis, Characterization, Cytotoxicity, Molecular Docking, and Modeling of the New Chelating Agent 2-Benzoyl-N-Phenylhydrazine-1-Carbothioamide and Its Metal Complexes Nasser Mohammed Hosny, Elham A. Elsherbiny, Mostafa A. Hussien, Mohamed H. Abdel‐Rhman Chemistryselect, 2026 The ligand 2‐benzoyl‐N‐phenylhydrazine‐1‐carbothioamide (H 3 L) and its Zn(II), Cu(II), Co(II), Ni(II) coordination compounds have been synthesized and characterized. Mass spectra (MS), elemental analyses (CHN), infrared (FTIR), UV‐Visible, electron spin resonance (ESR), 1 HNMR& 13 CNMR, Thermo gravimetrical analyses (TGA) and magnetic moments were used to characterize the synthesized compounds. H 3 L exists in the keto‐thione form, while it chelates the metal ions in a keto‐thiol form via thioamide nitrogen and thiol sulfur after substituting the hydrogen. Tetrahedral stereochemistry was proposed for Ni(II) and Co(II) complexes. EPR indicated the formation of a square planar Cu(II) complex. DFT/B3LYP geometry optimization supported the suggested structures. Direct electronic transitions between HOMO and LUMO, with band gap energy (E g ) 4.3 eV were found for H 3 L. The determined Eg values were reduced to 4.16–4.23 eV in case of the metal complexes. The Molecular docking and cytotoxicity activities of H 3 L and its coordination compounds were investigated against colon (HCT‐116) and liver (HePG‐2) cell lines. H 3 L has a strong cytotoxicity against both HePG‐2 (PDB ID: 4fm9) and HCT‐116 (PDB ID: 3ig7) cell lines with IC 50 17.79 ± 1.2 and 13.46 ± 0.9 µg/ml, respectively. The ligand has higher cytotoxicity than its coordination compounds.
Benzophenone Schiff Base Metal Complexes as Promising Antimicrobial and Anticancer Agents: Spectroscopic and Docking Investigations Maram A. Ateq, Mostafa A. Hussien, Elham S. Aazam Chemistryselect, 2025 A new series of benzophenone Schiff base metal complexes were synthesized and comprehensively characterized using elemental analysis, molar conductance, FT‐IR, UV–vis, NMR, ESR, mass spectrometry, magnetic susceptibility, and thermal analysis. The results confirmed a 1:2 metal‐to‐ligand ratio with bidentate coordination through azomethine nitrogen and benzophenone oxygen, leading to octahedral or distorted octahedral geometry. The Zn(II), Cu(II), and Ni(II) complexes exhibited non‐electrolytic behavior, while Fe(III) acted electrolytically. Thermal studies revealed stepwise water loss followed by ligand degradation, confirming the complexes’ structural stability.The complexes were evaluated for antibacterial activity against Staphylococcus aureus and Escherichia coli , showing enhanced inhibition compared to the free ligand, with the Fe(III) complex demonstrating the highest activity. Anticancer potential was assessed via MTT assay on MCF‐7 breast cancer cells, where all complexes exhibited higher cytotoxicity than the ligand; notably, the Zn(II) complex showed significant activity (IC 50 = 61.47 µM). Molecular docking against aromatase cytochrome P450 (PDB: 3eqm) revealed favorable binding interactions, supporting the experimental findings and highlighting these benzophenone Schiff base metal complexes as promising candidates for further therapeutic exploration.
Salen-Type Copper(II) Complexes: Synthesis, Characterization, Computational Studies, Molecular Docking, Anticancer Potential, and Pharmacokinetic Prediction Abdellatif A. Helaly, Bandar A. Babgi, Yoji Kobayashi, Rohit K. Rai, Ehab M. M. Ali, et al. Chemistryopen, 2025 Transition metal complexes are considered a significant treatment for cancer diseases because of their efficacy toward cancer cells. However, most of these compounds have limited potential toward cancer cells due to their organic backbone structure. Here, the synthesis and anticancer screening of three different ligand structures of salen copper(II) complexes are reported: [Cu II (salophen)(H 2 O) 2 ] ( 1 ), [Cu II (salen)(H 2 O) 2 ] ( 2 ), and [Cu II (etho‐salen)(H 2 O) 2 ] ( 3 ). Using density functional theory‐optimized structures, docking active site interactions are evaluated to predict the activity of salen‐type ligands and their copper(II) complexes against cyclin‐dependent kinase 5 (Cdk5 ) and aromatase cytochrome (P450) proteins. The molecular docking study reveals that among all studied ligands and complexes, [Cu II (salen)(H 2 O) 2 ] ( 2 ) has the best docking score value, S = −8.79 and −7.73, with the lowest root mean square deviation (RMSD = 1.02 and 1.09) against proteins Cdk5 and P450, respectively. Anticancer activity against MCF‐7 and HCT‐116 cell lines reveals that [Cu II (salen)(H 2 O) 2 ] ( 2 ) shows favorable behavior with IC 50 values of 212.5 and 98.9 μ m , respectively. Its parent ligand 2 shows lower potency, with IC 50 values of 404.7 μ m in MCF‐7 and 305.2 μ m in HCT‐116. Notably, copper(II) complexes display reduced toxicity rather than cisplatin toward normal HFF‐1 fibroblasts, indicating a more favorable therapeutic window.
Structural, Computational, and Biomolecular Interaction Study of Europium(III) and Iron(III) Complexes with Pyridoxal-Semicarbazone Ligand Violeta Jevtovic, Stefan Perendija, Aljazi Abdullah Alrashidi, Maha Awjan Alreshidi, Elham A. Alzahrani, et al. International Journal of Molecular Sciences, 2025 The coordination chemistry, structural characterization, and biomolecular interactions of europium(III) and iron(III) complexes with the pyridoxal-semicarbazone (PLSC) ligand were thoroughly examined using experimental and computational approaches. Single-crystal X-ray diffraction revealed that the europium complex exhibits a nine-coordinate geometry with one protonated and one deprotonated PLSC ligand and nitrato and aqua ligands. In contrast, the iron complex adopts a six-coordinate structure featuring a monoprotonated PLSC, two chlorido, and an aqua ligand. Hirshfeld surface analysis confirmed the significance of intermolecular contacts in stabilizing the crystal lattice. Theoretical geometry optimizations using DFT methods demonstrated excellent agreement with experimental bond lengths and angles, thereby validating the reliability of the chosen computational levels for subsequent quantum chemical analyses. Quantum Theory of Atoms in Molecules (QTAIM) analysis was employed to investigate the nature of metal–ligand interactions, with variations based on the identity of the donor atom and the ligand’s protonation state. The biological potential of the complexes was evaluated through spectrofluorimetric titration and molecular docking. Eu-PLSC displayed stronger binding to human serum albumin (HSA), while Fe-PLSC showed higher affinity for calf thymus DNA (CT-DNA), driven by intercalation. Thermodynamic data confirmed spontaneous and enthalpy-driven interactions. These findings support using PLSC-based metal complexes as promising candidates for future biomedical applications, particularly in drug delivery and DNA targeting.
Synergistic Antitumor Potential of Propolis With 6‑Mercaptopurine and 5‑Fluorouracil AAA Majami, EMM Ali, AA Kalantan, MA Hussien, AA Elashkar, ... Cell Biochemistry and Function 44 (2), e70177 , 2026 2026 Citations: 1
Synthesis, Characterization, Cytotoxicity, Molecular Docking, and Modeling of the New Chelating Agent 2‐Benzoyl‐N‐Phenylhydrazine‐1‐Carbothioamide and Its Metal Complexes NM Hosny, EA Elsherbiny, MA Hussien, MH Abdel‐Rhman ChemistrySelect 11 (2), e04670 , 2026 2026
Benzophenone Schiff Base Metal Complexes as Promising Antimicrobial and Anticancer Agents: Spectroscopic and Docking Investigations MA Ateq, MA Hussien, ES Aazam ChemistrySelect 10 (48), e04171 , 2025 2025 Citations: 1
Eco-friendly spectrophotometric sensor based on Schiff-base functionalized cellulosic material for ultra-sensitive mercury (II) detection W Abd El-Fattah, A Guesmi, NB Hamadi, MA Khalil, AA Helaly, BA Babgi, ... Microchemical Journal, 115380 , 2025 2025 Citations: 4
Bioengineered nanocellulose–Schiff base sensor for selective fluorometric detection of Cd2+ ions in aqueous media NY Elamin, MR Elamin, S Abdalla, MA Khalil, AA Helaly, BA Babgi, ... International Journal of Biological Macromolecules, 147594 , 2025 2025 Citations: 6
Salen‐Type Copper(II) Complexes: Synthesis, Characterization, Computational Studies, Molecular Docking, Anticancer Potential, and Pharmacokinetic Prediction MMII Abdellatif A. Helaly, Bandar A. Babgi, Yoji Kobayashi,* Rohit K. Rai ... ChemistryOpen, 2500061-2500075 , 2025 2025 Citations: 7
Structural, Computational, and Biomolecular Interaction Study of Europium (III) and Iron (III) Complexes with Pyridoxal-Semicarbazone Ligand V Jevtovic, S Perendija, AA Alrashidi, MA Alreshidi, EA Alzahrani, ... International Journal of Molecular Sciences , 2025 2025 Citations: 1
Synthesis, crystal structural description, DNA binding, molecular docking, and anticancer evaluation of the novel platinum(IV) supramolecular complex MJMME Domyati, Ehab M. M. Ali, Mostafa A. Hussien, Bambar Davaasuren BMC Chemistry 19 (1), 102-119 , 2025 2025 Citations: 7
The Effect of Central Metal Ions (Dy, Er, Ni, and V) on the Structural and HSA-Binding Properties of 2-Hydroxy-3-methoxybenzaldehyde Semicarbazone Complexes V Jevtovic, JM Živković, AA Rakić, AA Alrashidi, MA Alreshidi, ... Inorganics 13 (3), 95 , 2025 2025
CCDC 2307870: Experimental Crystal Structure Determination: bis (2, 2'-bipyridine)-dichloro-platinum (iv) hexachloro-platinum (iv) D Domyati, EMM Ali, MA Hussien, B Davaasuren, M Jaremko, ... Cambridge Crystallographic Data Centre , 2025 2025
System zur Synthese von N-(3-(Methylthio )propyl)-thiosemicarbazid-abgeleiteten lmin-Derivaten tor die Behandlung von Diabetikern Abdellattif, Magda Hassan,AI-Harrasi, Ahmed, Alharthy, Rima Dakheelallah ... Bundesrepublik Deutschland Urkunde, Gebrauchsmusters Nr. 202025100799 , 2025 2025
Ein System zur Synthese von magnetischen Kern-Schale-Nanokompositen zur Hemmung von Tyrosinase M Abdellattif, Magda Hassan, Alghamdi, Youssef Saeed, AI-Harrasi, Ahmed ... GR Patent 202,025,100,802 , 2025 2025
Ein System zur Herstellung von Verbundmaterialien auf Polyvinylalkoholbasis fur weiche Kontaktlinsen MH Abdellattif, AW Khan, A AI-Harrasi, MA Hussien, S Bhatia, ... GR Patent 202025100798.3 , 2025 2025
Multifunctional composite material: Dual detection of copper ions in aqueous environments via fluorescent and colorimetric methods, and efficient recovery of silver from … MA Hussien, A Subaihi, A Alharbi, AA Alluhaybi, A Radwan, A Shahat Colloids and Surfaces A: Physicochemical and Engineering Aspects 708, 135905 , 2025 2025 Citations: 8
Sustainable light energy conversion using partially Zn-substituted Mn ferrite doped polysulfone membranes for enhanced water desalination MEAA Mostafa A. Hussien , Mohammed T. Alotaibi , Ahmed Alharbi , Mohamed S ... Journal of Water Process Engineering 71, 107264 , 2025 2025 Citations: 2
Synthesis and crystallographic investigation of dicobalt tetrahedrane complexes ligated by 2-butyne-1, 4-diol. In silico evaluation of their efficiency as anticancer metallodrugs AS Mohamed, I Jourdain, M Knorr, S Beffy, A Elmi, F Siddique, S Chtita, ... Journal of Molecular Structure 1321, 140108 , 2025 2025 Citations: 4
Structure characterization, DNA binding, molecular docking and antitumor activity of manganese isothiocyanate complex with neocuproine ligand MM El-bendary, A Akhdhar, D Domyati, EMM Ali, B Davaasuren, ... Polyhedron 267, 117364 , 2025 2025 Citations: 3
Synthesis, crystallographic Structure, Stability, and HSA-Binding affinity of a novel Copper (II) complex with Pyridoxal-Semicarbazone ligand V Jevtovic, A Rakić, JM Živković, AA Alrashidi, MA Alreshidi, EA Alzahrani, ... Crystals 14 (12), 1106 , 2024 2024 Citations: 6
CCDC 2298566: Experimental Crystal Structure Determination:(cis)-bis (2, 9-dimethyl-1, 10-phenanthroline)-bis (isothiocyanato)-manganese (ii) MM El-bendary, A Akhdhar, D Domyati, EMM Ali, B Davaasuren, ... Cambridge Crystallographic Data Centre , 2024 2024
Exploring Novel NH-Form Resorcinol-Based Schiff Base and its Metal Complexes: Synthesis, Characterization, Cytotoxic Activity, Molecular Docking and ADME Studies MAMMAH Elham S. Aazam Heliyon 10, e37385 , 2024 2024 Citations: 7
MOST CITED SCHOLAR PUBLICATIONS
Structural, molecular docking computational studies and in-vitro evidence for antibacterial activity of mixed ligand complexes MAHAAEG A.Z.El-Sonbati, N.F.Omar, M.I.Abou-Dobara, M.A.Diab, M.A.El-Mogazy ... Journal of Molecular Structure , 2021 2021 Citations: 111
Synthesis, structures, DNA-binding and anticancer activities of some copper (I)-phosphine complexes KH Mashat, BA Babgi, MA Hussien, MN Arshad, MH Abdellattif Polyhedron 158, 164-172 , 2019 2019 Citations: 103
Adsorption of Acid Yellow 99 by polyacrylonitrile/activated carbon composite: kinetics, thermodynamics and isotherm studies AA El-Bindary, MA Hussien, MA Diab, AM Eessa Journal of molecular liquids 197, 236-242 , 2014 2014 Citations: 87
Synthesis, characterization, molecular docking and cytotoxicity studies on N-benzyl-2-isonicotinoylhydrazine-1-carbothioamide and its metal complexes NMH Mohamed H. Abdel-Rhman, Mostafa A. Hussien , Heba M. Mahmoud Journal of Molecular Structure 1196, 417-428 , 2019 2019 Citations: 84
Transition metal complexes of 6‐mercaptopurine: characterization, theoretical calculation, DNA‐Binding, molecular docking, and anticancer activity AA Sharfalddin, AH Emwas, M Jaremko, MA Hussien Applied Organometallic Chemistry 35 (1), e6041 , 2021 2021 Citations: 66
Therapeutic properties of vanadium complexes AA Sharfalddin, IM Al-Younis, HA Mohammed, M Dhahri, F Mouffouk, ... Inorganics 10 (12), 244 , 2022 2022 Citations: 64
Synthesis and theoretical calculations of metal-antibiotic chelation with thiamphenicol: in vitro DNA and HSA binding, molecular docking, and cytotoxicity studies1 AA Sharfalddin, AH Emwas, M Jaremko, MA Hussien New Journal of Chemistry 16, 9598-9604 , 2021 2021 Citations: 64
Synthesis, characterization, and biological investigation of new mixed‐ligand complexes BH Amin, MI Abou‐Dobara, MA Diab, EA Gomaa, MA El‐Mogazy, ... Applied Organometallic Chemistry 34 (8), e5689 , 2020 2020 Citations: 63
Synthesis, spectral characterization and DNA binding of Schiff-base metal complexes derived from 2-amino-3-hydroxyprobanoic acid and acetylacetone NN Nasser Mohammed Hosny, Mostafa A Hussien, Fatima M Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , 2014 2014 Citations: 58
Spectroscopic, thermal, catalytic and biological studies of Cu(II) azo dye complexes RAEB A.Z. El-Sonbati, M.A. Diab, A.A. El-Bindary, A.F. Shoair, M.A. Hussein Journal of Molecular Structure 1141, 186-203 , 2017 2017 Citations: 57
Synthesis, Structural Investigations, Molecular Docking, and Anticancer Activity of Some Novel Schiff Bases and Their Uranyl Complexes WMIHMAH Hanan B. Howsaui,Amal S. Basaleh ,Magda H. Abdellattif Biomolecules 11 (8), 1138 , 2021 2021 Citations: 54
Interactions of selected cardiovascular active natural compounds with CXCR4 and CXCR7 receptors: A molecular docking, molecular dynamics, and pharmacokinetic/toxicity … HAS Murad, TMA Alqurashi, MA Hussien BMC Complementary Medicine and Therapies 22 (1), 35 , 2022 2022 Citations: 53
Spectroscopic, thermal and kinetic studies of coordination compounds of Zn (II), Cd (II) and Hg (II) with norfloxacin M Refat, G Mohamed, R de Farias, A Powell, M El-Garib, S El-Korashy, ... Journal of thermal analysis and calorimetry 102 (1), 225-232 , 2010 2010 Citations: 51
Stereochemistry of new nitrogen containing heterocyclic compounds.: X. Supramolecular structures and stereochemical versatility of polymeric complexes AZ El-Sonbati, AAM Belal, SI El-Wakeel, MA Hussien Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 60 (4 … , 2004 2004 Citations: 50
Synthesis, spectroscopic characterization and biological studies of Mn (II), Cu (Ii), Ni (II), Co (II) and Zn (II) complexes with new schiff base of 2-((pyrazine-2-ylimino … HB Howsaui, AA Sharfalddin, MH Abdellattif, AS Basaleh, MA Hussien Applied Sciences 11 (19), 9067 , 2021 2021 Citations: 46
Spectral characterization, optical band gap calculations and DNA binding of some binuclear Schiff-base metal complexes derived from 2-amino-ethanoic acid and acetylacetone MA Hussien, N Nawar, FM Radwan, NM Hosny Journal of Molecular Structure 1080, 162-168 , 2015 2015 Citations: 43
New Approaches of 4-Aryl-2-Hydrazinothiazole Derivatives Synthesis, Molecular Docking, and Biological Evaluations MH Abdellattif, MA Hussien, E Alzahrani INTERNATIONAL JOURNAL OF PHARMACEUTICAL SCIENCES AND RESEARCH 9 (12), 1000-1019 , 2018 2018 Citations: 42
Adsorption of Acid Red 57 from aqueous solutions onto polyacrylonitrile/activated carbon composite AA El-Bindary, MA Diab, MA Hussien, AZ El-Sonbati, AM Eessa Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 124, 70-77 , 2014 2014 Citations: 39
Lossen rearrangement of p-toluenesulfonates of N-oxyimides in basic condition, theoretical study and molecular docking AHE Mariusz Jaremko1*, Monika Kijewska2, Abeer A. Sharfalddin3, Łukasz ... Frontier in Chemistry , 2021 2021 Citations: 38
Hirshfeld Surface analysis, spectroscopic, biological studies and molecular docking of (4E)-4-((naphthalen-2-yl) methyleneamino)-1, 2-dihydro-2, 3-dimethyl-1-phenylpyrazol-5-one NE Eltayeb, F Şen, J Lasri, MA Hussien, SE Elsilk, BA Babgi, H Gökce, ... Journal of Molecular Structure, 127315 , 2019 2019 Citations: 38