Effect of Sulfonamide Functionalization on the Corrosion Inhibition Efficiency of Chitosan for Carbon Steel in 1.0 m HCl: Experimental and Computational Approaches Moustafa S. Abusaif, Amr Gangan, Ahmed E. Hassan, Mohamed A. Salem, Yousry A. Ammar, et al. Journal of Applied Polymer Science, 2026 This study successfully synthesized and evaluated a novel, eco‐friendly corrosion inhibitor based on chitosan functionalized with a quinoxaline moiety (DQDS). A series of modified chitosan sulfonamide inhibitors (CH‐DQDS1, CH‐DQDS2, CH‐DQDS3) was synthesized by reaction of chitosan with varying molar ratios of quinoxaline sulfonyl chloride under mild conditions (room temperature, stirring). In a corrosive solution of 1.0 M HCl, the samples were determined to be effective corrosion inhibitors for carbon steel. The most effective inhibitor (CH‐DQDS3) achieved a high inhibition efficiency of 91.36% at 400 ppm. Adsorption of inhibitors onto the surface of the steel occurs via a combination of physical and chemical interactions (mixed type), as confirmed by strongly negative Gibbs free energy values (Δ G °ads = −30 to −36 kJ mol −1 ), indicating a spontaneous process. Electrochemical Impedance Spectroscopy (EIS) demonstrated an increase in charge transfer resistance corresponding to the concentration of the inhibitor, as well as the modified chitosan sulfonamide samples exhibiting a higher capacitive semicircle and higher inhibition efficiency percentage than the native chitosan. SEM‐MAP and atomic force microscope (AFM) analyses provided visual confirmation of the creation of a protective adsorbed film. AFM specifically showed a dramatic reduction in surface roughness (from 852 to 210 nm) due to the inhibitor's protective action. Quantum chemical calculations, molecular dynamics (MD), and Monte Carlo simulations provided atomistic insights into the adsorption mechanism at the steel/solution interface. Lastly, the incorporation of the quinoxaline moiety significantly enhanced Chitosan's corrosion inhibition properties. Future work will focus on optimizing the molecular structures and testing performance in more complex, real‐world corrosive environments.
Chemical composition and biological activity of extracts and essential oils of Ziziphora capitata L and Ziziphora tenuior L: A review Y YOUSSIF, A Ragab, MA Zahran, FA Ahmed Egyptian Journal of Chemistry , 2026 2026
Fabrication of bioactive gelatin boosted by vanillylideneacetone with enhanced antioxidant performance: in vitro, molecular docking, and pharmacokinetic studies TM Tamer, MA Hassan, A Ragab, R Yao, MS Mohy-Eldin, N Hassan, ... Materials Chemistry and Physics, 132202 , 2026 2026
Amphiphilic cellulose and alginate–functionalized magnetic ZIF-8 nanocomposites for dinitrophenol removal, colorimetric H₂O₂ sensing, and antibacterial applications SM Tawfik, H Jang, H Kwon, M Fekry, AA Roshdy, A Ragab, B Zakaria, ... International Journal of Biological Macromolecules, 150699 , 2026 2026
Bridging the gap with amide linkers: rational design, synthesis, and multi-target evaluation of sulfonamide/acetamide-NSAID hybrids as dual COX-2/5-LOX inhibitors TM Ramsis, S Hussein, MS Abusaif, A Ragab, YA Ammar, O Ali, A Musa, ... Future Medicinal Chemistry, 1-18 , 2026 2026 Citations: 1
Development of novel salicylic acid derivatives with dual anti-inflammatory and anti-arthritic potentials: synthesis, in vitro bio-evaluation, and in silico toxicity prediction … K Hesham, WM Aboulthana, A Ragab RSC advances 16 (4), 3509-3526 , 2026 2026 Citations: 3
Effect of Sulfonamide Functionalization on the Corrosion Inhibition Efficiency of Chitosan for Carbon Steel in 1.0 m HCl: Experimental and Computational Approaches MS Abusaif, A Gangan, AE Hassan, MA Salem, YA Ammar, A Ragab Journal of Applied Polymer Science, e70487 , 2026 2026 Citations: 1
Thiazole tethered adamantane derivatives as potential FMDV inhibitors: Design, synthesis, antiviral activity, and molecular modeling simulations OAA Ali, YA Ammar, MS Abusaif, A Ragab Journal of Molecular Structure, 145229 , 2026 2026
Rational Design, Synthesis, and In Silico Evaluation of Novel Pyridine-Based Heterocyclic Compounds as Multifunctional Antidiabetic Agents: Molecular Docking and ADMET Profiling MH Helal, A Ragab, MS Abusaif, EM Ahmed, SM Gomha, YA Ammar, ... Journal of Molecular Structure, 143703 , 2026 2026 Citations: 9
Exploration Novel of Pyrazole and Isoxazole Derivatives as Potential Antimicrobial Agents: Design, Synthesis, Structure Activity Relationship Study, and Antibiofilm Activity … KE Saadon, A Ragab, NMH Taha, NA Mahmoud, AK Khalil, GAM Elhagali Drug Development Research 86 (8), e70189 , 2025 2025 Citations: 4
Recent advances in adamantane-linked heterocycles: synthesis and biological activity MH Helal, MS Abusaif, A Ragab, SY Abbas, R Ayman, MSA El-Gaby, ... Molecular Diversity, 1-49 , 2025 2025 Citations: 2
Mentha spicata -mediated silver nanoparticles for combating Streptococcus mutans and oral cancer cells A Yousef, SS Salem, A Ragab, OM El Shahaly, HO Rateb, RA El-Esawy, ... Scientific Reports 15 (1), 38474 , 2025 2025 Citations: 4
Development of new urea derivatives based on isoniazid as antiproliferative agents and apoptosis inducers targeting VEGFR-2 with in-silico ADMET and molecular docking simulation A Ragab, A Minarčíková, A Kleinová, J Kronek, Z Kroneková Journal of Molecular Structure 1341, 142584 , 2025 2025 Citations: 3
Flufenamic acid-based sulfonohydrazide and acetamide derivatives NSAI as inhibitors of multi-targets COX-1/COX-2/5-LOX: design, synthesis, in silico ADMET and binding mode studies S Hussein, EA Fayed, A Ragab, MS Abusaif, YA Ammar, ... BMC chemistry 19 (1), 271 , 2025 2025 Citations: 6
Discovery and optimization of 2-pyridones as dual h-DHFR/EGFRTK inhibitors with immunomodulatory potential; design, synthesis, anti-proliferative activity, and apoptosis inducer A Ragab, RR Raslan, MS Abusaif, HK Thabet, YA Ammar, NA Gohar European Journal of Medicinal Chemistry 294, 117751 , 2025 2025 Citations: 10
Development of pyrazole and pyrazolopyrimidine derivatives as promising anti-MRSA agents targeting penicillin-binding protein (PBP2a) and mecA gene A Ragab, MS Abusaif, HMRM Selim, OKM Riad, MH Helal, AM Ali, ... Bioorganic Chemistry, 108977 , 2025 2025 Citations: 11
Novel antibacterial, antioxidant, and anti-inflammatory aminated chitosan hybrid quinoline Schiff base as multi-target agent: Design, molecular docking, and toxicity assessment YM Abdel-Baky, A Ragab, MS Abusaif, YA Ammar, AM Omer Carbohydrate Polymers, 124049 , 2025 2025 Citations: 13
Novel corrosion inhibitors and SRB resistivity hydrazones decorated thiazole derivatives as dual-target agent: design, microwave irradiation synthesis, and DFT calculations MS Abusaif, AM Hyba, MH Helal, YA Ammar, DS Aboul-Magd, A Ragab Journal of Industrial and Engineering Chemistry , 2025 2025 Citations: 4
Discovery of new thiazolidin-4-one and thiazole nucleus incorporation sulfaguanidine scaffold as new class of antimicrobial agents: Design, synthesis, in silico ADMET, and … OAA Ali, A Ragab, YA Ammar, MS Abusaif Journal of Molecular Structure 1334, 141879 , 2025 2025 Citations: 13
Unveiling the antioxidant potential of new modified hyaluronan derivatives: Design, synthesis, characterization, antioxidant evaluation, and in-silico studies with molecular … ME Hassan, TM Tamer, K Valachová, A Ragab, L Šoltés International Journal of Biological Macromolecules 318, 145054 , 2025 2025 Citations: 6
Utilising UPLC-QTOF-MS/MS to determine the phytochemical profile and in vitro cytotoxic potential of Ziziphora capitata L. with molecular docking simulation YM Youssif, GAM Elhagali, MA Zahran, FA Ahmed, A Ragab Natural Product Research 39 (12), 3417-3425 , 2025 2025 Citations: 20
MOST CITED SCHOLAR PUBLICATIONS
Design, synthesis, molecular docking and biological activity evaluation of some novel indole derivatives as potent anticancer active agents and apoptosis inducers AMS El-Sharief, YA Ammar, A Belal, MAMS El-Sharief, YA Mohamed, ... Bioorganic chemistry 85, 399-412 , 2019 2019 Citations: 129
Novel Structural hybrids of quinoline and thiazole moieties: Synthesis and evaluation of antibacterial and antifungal activities with molecular modeling studies SI Eissa, AM Farrag, SY Abbas, MF El Shehry, A Ragab, EA Fayed, ... Bioorganic Chemistry 110, 104803 , 2021 2021 Citations: 122
Design, synthesis, antiproliferative activity, molecular docking and cell cycle analysis of some novel (morpholinosulfonyl) isatins with potential EGFR inhibitory activity YA Ammar, AMS El-Sharief, A Belal, SY Abbas, YA Mohamed, ... European journal of medicinal chemistry 156, 918-932 , 2018 2018 Citations: 114
Discovery of new Schiff bases tethered pyrazole moiety: Design, synthesis, biological evaluation, and molecular docking study as dual targeting DHFR/DNA gyrase inhibitors with … AS Hassan, AA Askar, AM Naglah, AA Almehizia, A Ragab Molecules 25 (11), 2593 , 2020 2020 Citations: 98
In vitro enzymatic evaluation of some pyrazolo[1,5‐ a ]pyrimidine derivatives: Design, synthesis, antioxidant, anti‐diabetic, anti‐Alzheimer, and anti‐arthritic activities … AS Hassan, NM Morsy, WM Aboulthana, A Ragab Drug Development Research 84 (1), 3-24 , 2023 2023 Citations: 95
Exploring novel derivatives of isatin-based Schiff bases as multi-target agents: design, synthesis, in vitro biological evaluation, and in silico ADMET analysis with molecular … AS Hassan, NM Morsy, WM Aboulthana, A Ragab RSC advances 13 (14), 9281-9303 , 2023 2023 Citations: 91
Development of novel indolin-2-one derivative incorporating thiazole moiety as DHFR and quorum sensing inhibitors: synthesis, antimicrobial, and antibiofilm activities with … AY Alzahrani, YA Ammar, M Abu-Elghait, MA Salem, MA Assiri, TE Ali, ... Bioorganic Chemistry 119, 105571 , 2022 2022 Citations: 86
Development of adamantane scaffold containing 1, 3, 4-thiadiazole derivatives: Design, synthesis, anti-proliferative activity and molecular docking study targeting EGFR MMS Wassel, YA Ammar, GAME Ali, A Belal, ABM Mehany, A Ragab Bioorganic Chemistry 110, 104794 , 2021 2021 Citations: 85
One-pot synthesis and molecular docking of some new spiropyranindol-2-one derivatives as immunomodulatory agents and in vitro antimicrobial potential with DNA gyrase inhibitor MA Salem, A Ragab, AA Askar, A El-Khalafawy, AH Makhlouf European Journal of Medicinal Chemistry 188, 111977 , 2020 2020 Citations: 85
Antimicrobial evaluation of thiadiazino and thiazolo quinoxaline hybrids as potential DNA gyrase inhibitors; design, synthesis, characterization and morphological studies YA Ammar, AA Farag, AM Ali, SA Hessein, AA Askar, EA Fayed, DM Elsisi, ... Bioorganic Chemistry 99, 103841 , 2020 2020 Citations: 80
Synthesis, characterization, thermal properties, antimicrobial evaluation, ADMET study, and molecular docking simulation of new mono Cu (II) and Zn (II) complexes with 2 … A Ragab, YA Ammar, A Ezzat, AM Mahmoud, MBI Mohamed, AS El-Tabl, ... Computers in Biology and Medicine 145, 105473 , 2022 2022 Citations: 76
Discovery of novel pyrazole and pyrazolo [1, 5‐a] pyrimidine derivatives as cyclooxygenase inhibitors (COX‐1 and COX‐2) using molecular modeling simulation R Ayman, AM Radwan, AM Elmetwally, YA Ammar, A Ragab Archiv der Pharmazie 356 (2), e2200395 , 2023 2023 Citations: 75
Design, synthesis, in vitro antimicrobial evaluation and molecular docking studies of indol-2-one tagged with morpholinosulfonyl moiety as DNA gyrase inhibitors MA Salem, A Ragab, A El-Khalafawy, AH Makhlouf, AA Askar, YA Ammar Bioorganic Chemistry 96, 103619 , 2020 2020 Citations: 75
Synthesis, characterization, and in vitro antibacterial activity of some new pyridinone and pyrazole derivatives with some in silico ADME and molecular modeling study KE Saadon, NMH Taha, NA Mahmoud, GAM Elhagali, A Ragab Journal of the Iranian Chemical Society 19 (9), 3899-3917 , 2022 2022 Citations: 73
Anticancer effects with molecular docking confirmation of newly synthesized isatin sulfonamide molecular hybrid derivatives against hepatic cancer cell lines M Eldeeb, EF Sanad, A Ragab, YA Ammar, K Mahmoud, MM Ali, ... Biomedicines 10 (3), 722 , 2022 2022 Citations: 73
Sulfaguanidine hybrid with some new pyridine-2-one derivatives: design, synthesis, and antimicrobial activity against multidrug-resistant bacteria as dual DNA gyrase and DHFR … A Ragab, SA Fouad, OAA Ali, EM Ahmed, AM Ali, AA Askar, YA Ammar Antibiotics 10 (2), 162 , 2021 2021 Citations: 73
Hydrazonoyl bromide precursors as DHFR inhibitors for the synthesis of bis-thiazolyl pyrazole derivatives; antimicrobial activities, antibiofilm, and drug combination studies … SA Ibrahim, EA Fayed, HF Rizk, SE Desouky, A Ragab Bioorganic Chemistry 116, 105339 , 2021 2021 Citations: 71
Design, synthesis of new novel quinoxalin-2 (1H)-one derivatives incorporating hydrazone, hydrazine, and pyrazole moieties as antimicrobial potential with in-silico ADME and … A Ragab, DM Elsisi, OAA Ali, MS Abusaif, AA Askar, AA Farag, YA Ammar Arabian Journal of Chemistry 15 (1), 103497 , 2022 2022 Citations: 70
Design, synthesis, antiproliferative evaluation, and molecular docking study of new quinoxaline derivatives as apoptotic inducers and EGFR inhibitors EA Fayed, YA Ammar, MA Saleh, AH Bayoumi, A Belal, ABM Mehany, ... Journal of Molecular Structure 1236, 130317 , 2021 2021 Citations: 70
Development of novel pyrazole, imidazo [1, 2-b] pyrazole, and pyrazolo [1, 5-a] pyrimidine derivatives as a new class of COX-2 inhibitors with immunomodulatory potential R Ayman, MS Abusaif, AM Radwan, AM Elmetwally, A Ragab European Journal of Medicinal Chemistry 249, 115138 , 2023 2023 Citations: 69