Publications (selected)

1. Abdelnasser, E., Fahim, A. M., Oyekunle, D. T., et al. (2026). Green synthesis of 2D azine-linked covalent organic framework with antibacterial activity correlated by molecular docking study and computational calculations. Scientific Reports, 16(1), Article 1335.
2. Abdelnasser, E., Ramadan, AM., Ifthikar, J., et al. (2026). Opportunities of covalent organic frameworks (COFs) as a promising antibacterial agent. Journal of Molecular Structure, 1353, Article 144777.
3. Al Sabagh, A. M., Khodair, A. I., El-Sadek, B. M., et al. (2025). Crude oil recovery by new nonionic surfactants in relation to equivalent alkane carbon number (EACN) with work adhesion and alteration wettability. Scientific Reports, 15(1), Article 17166.
4. Khodair, A. I., Imam, D. R., Kheder, N. A., et al. (2025). Synthesis, DFT investigation, molecular docking analysis, ADMET studies, and biological evaluation of a novel series of imidazolidinone derivatives as potential antimicrobial agents (vol 1322, 140586, 2025). Journal of Molecular Structure, 1329, Article 141415.
5. Khodair, A. I., Metwally, A. I., Kheder, N. A., et al. (2024). New bis-hydantoin/thiohydantoin derivatives: Regioselective synthesis, antibacterial activity, molecular docking, and computational insights. Journal of Molecular Structure, 1303, Article 137565.
6. Khodair, A. I., Imam, D. R., Kheder, N. A., et al. (2025). Synthesis, DFT investigation, molecular docking analysis, ADMET studies, and biological evaluation of a novel series of imidazolidinone derivatives as potential antimicrobial agents. Journal of Molecular Structure, 1322, Article 140586.
7. Khodair, A. I., El-Hallouty, S. M., Cagle-White, B., et al. (2024). Camptothecin structure simplification elaborated new imidazo[2,1-b] quinazoline derivative as a human topoisomerase I inhibitor with efficacy against bone cancer cells and colon adenocarcinoma. European Journal of Medicinal Chemistry, 265, Article 116049.
8. Khodair, A. I., Alzahrani, F. M., Awad, M. K., et al. (2023). Design, synthesis, molecular modelling and antitumor evaluation of S-glucosylated rhodanines through topo II inhibition and DNA intercalation. Journal of Enzyme Inhibition and Medicinal Chemistry, 38(1), Article 2163996.
9. Khodair, A. I., Alzahrani, F. M., Awad, M. K., et al. (2023). Design, Synthesis, Computational Investigations, and Antitumor Evaluation of N-Rhodanine Glycosides Derivatives as Potent DNA Intercalation and Topo II Inhibition against Cancer Cells. ACS Omega, 8(14), 13300–13314.
10. El-Barbary, A. A., Imam, D. R., El-Tahawy, M. M. T., et al. (2023). Unexpected synthesis, characterization, biological evaluations, and computational details of novel nucleosides containing triazine-pyrrole hybrid. Journal of Molecular Structure, 1272, Article 134182.
11. Elsayed, G. H., Fahim, A. M., & Khodair, A. I. (2022). Synthesis, anti-cancer activity, gene expression and docking stimulation of 2-thioxoimidazolidin-4-one derivatives. Journal of Molecular Structure, 1265, Article 133401.
12. Gendy, E. A., Khodair, A. I., Fahim, A. M., et al. (2022). Synthesis, characterization, antibacterial activities, molecular docking, and computational investigation of novel imine-linked covalent organic framework. Journal of Molecular Liquids, 358, Article 119191.
13. Khodair, A. I., Kassab, S. E., Kheder, N. A., et al. (2022). Synthesis of novel D-?-galactopyranosyl-L-seryl/L-threonyl-L-alanyl-L-alanine as useful precursors of new glycopeptide antibiotics with computational calculations studies. Carbohydrate Research, 514, Article 108546.
14. Khodair, A. I., Bakare, S. B., Awad, M. K., et al. (2022). Design, synthesis, and computational explorations of novel 2-thiohydantoin nucleosides with cytotoxic activities. Journal of Heterocyclic Chemistry, 59(4), 664–685.
15. Nafie, M. S., Khodair, A. I., Hassan, H. A. Y., et al. (2022). Evaluation of 2-Thioxoimadazolidin-4-one Derivatives as Potent Anti-Cancer Agents through Apoptosis Induction and Antioxidant Activation: In Vitro and In Vivo Approaches. Molecules, 27(1), Article 83.
16. Elbadawi, M. M., Khodair, A. I., Awad, M. K., et al. (2022). Design, synthesis and biological evaluation of novel thiohydantoin derivatives as antiproliferative agents: A combined experimental and theoretical assessments. Journal of Molecular Structure, 1249, Article 131574.
17. Gendy, E. A., Ifthikar, J., Ali, J., et al. (2021). Removal of heavy metals by covalent organic frameworks (COFs): A review on its mechanism and adsorption properties. Journal of Environmental Chemical Engineering, 9(4), Article 105687.
18. Khodair, A. I., El-Barbary, A. A., Imam, D. R., et al. (2021). Synthesis, antiviral, DFT and molecular docking studies of some novel 1,2,4-triazine nucleosides as potential bioactive compounds. Carbohydrate Research, 500, Article 108246.
19. Khodair, A. I., Bakare, S. B., Awad, M. K., et al. (2021). Design, synthesis, DFT, molecular modelling studies and biological evaluation of novel 3-substituted (E)-5-(arylidene)-1-methyl-2-thioxoimidazolidin-4-ones with potent cytotoxic activities against breast MCF-7, liver HepG2, and lung A549. Journal of Molecular Structure, 1229, Article 129805.
20. Mansour, H., Khodair, A., Elsiginy, S. M., et al. (2020). Design, synthesis, characterization and biological evaluation of Thieno[2, 3-b]pyridines-chitosan nanocomposites as drug delivery systems for colon targeting. Carbohydrate Research, 492, Article 107990.

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https://scholar.google.com/citations?user=y52zE4EAAAAJ&hl=en
https://www.researchgate.net/profile/Ahmed-Khodair

WOS ResearcherID: AAG-5473-2021