All Stories

  1. Treatment of non-small cell lung cancer using chem-bioinformatics-driven engineering of exosomal cargo-vehicle for telmisartan and pioglitazone targeted-delivery

    Article • Scientific Reports, July 2025, Springer Science + Business Media

    Dr. Shaymaa Emam Kassab

  2. Precise structure manipulation of selective estrogen receptor modulators led to first-in-class thiophene-3-benzamide derivatives as potential ER-antagonists without uterotrophic activity

    Article • Bioorganic Chemistry, July 2025, Elsevier

    Dr. Shaymaa Emam Kassab

  3. A new computational cross-structure-activity relationship (C-SAR) approach applies to a selective HDAC6 inhibitor dataset for accelerated structure development

    Article • Computers in Biology and Medicine, June 2025, Elsevier

    Dr. Shaymaa Emam Kassab

  4. AI-DPAPT: a machine learning framework for predicting PROTAC activity

    Article • Molecular Diversity, October 2024, Springer Science + Business Media

    Dr. Shaymaa Emam Kassab

  5. 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

    Article • European Journal of Medicinal Chemistry, February 2024, Elsevier

    Dr. Shaymaa Emam Kassab

  6. Rational Design and Synthesis of New Selective COX-2 Inhibitors with In Vivo PGE2-Lowering Activity by Tethering Benzenesulfonamide and 1,2,3-Triazole Pharmacophores to Some NSAIDs

    Article • Pharmaceuticals, September 2022, MDPI AG

    Dr. Shaymaa Emam Kassab

  7. Rational design of biodegradable sulphonamide candidates treating septicaemia by synergistic dual inhibition of COX-2/PGE2 axis and DHPS enzyme

    Article • Journal of Enzyme Inhibition and Medicinal Chemistry, June 2022, Taylor & Francis

    Dr. Shaymaa Emam Kassab

  8. Synthesis of novel d-α-galactopyranosyl-l-seryl/l-threonyl-l-alanyl-l-alanine as useful precursors of new glycopeptide antibiotics with computational calculations studies

    Article • Carbohydrate Research, April 2022, Elsevier

    Dr. Shaymaa Emam Kassab, Asmaa M Fahim

  9. Structure-based design and synthesis of conformationally constrained derivatives of methyl-piperidinopyrazole (MPP) with estrogen receptor (ER) antagonist activity

    Article • Bioorganic Chemistry, February 2022, Elsevier

    Dr. Shaymaa Emam Kassab, Professor Bahaa Elgendy

  10. Design, synthesis and biological evaluation of novel thiohydantoin derivatives as antiproliferative agents: A combined experimental and theoretical assessments

    Article • Journal of Molecular Structure, February 2022, Elsevier

    Dr. Shaymaa Emam Kassab

  11. Febuxostat-based amides and some derived heterocycles targeting xanthine oxidase and COX inhibition. Synthesis, in vitro and in vivo biological evaluation, molecular modeling and in silico ADMET studies

    Article • Bioorganic Chemistry, August 2021, Elsevier

    Dr. Shaymaa Emam Kassab

  12. Structural Basis of Selective Human Indoleamine‐2,3‐dioxygenase 1 (hIDO1) Inhibition

    Article • ChemMedChem, July 2021, Wiley

    Dr. Shaymaa Emam Kassab

  13. Indomethacin from Anti-Inflammatory to Anticancer Agent

    Article • March 2019, IntechOpen

    Dr. Shaymaa Emam Kassab

  14. Structure-based design generated novel hydroxamic acid based preferential HDAC6 lead inhibitor with on-target cytotoxic activity against primary choroid plexus carcinoma

    Article • Journal of Enzyme Inhibition and Medicinal Chemistry, January 2019, Taylor & Francis

    Dr Nesreen Nabil Omar, Dr. Shaymaa Emam Kassab

  15. Design, synthesis, biological evaluation and docking studies of new 3-(4,5-dihydro-1 H -pyrazol/isoxazol-5-yl)-2-phenyl-1 H -indole derivatives as potent antioxidants and 15-lipoxygenase inhibitors

    Article • European Journal of Medicinal Chemistry, February 2018, Elsevier

    Mostafa El-Miligy, Dr. Shaymaa Emam Kassab

  16. Discovery of new indomethacin-based analogs with potentially selective cyclooxygenase-2 inhibition and observed diminishing to PGE2 activities

    Article • European Journal of Medicinal Chemistry, December 2017, Elsevier

    Dr. Shaymaa Emam Kassab

  17. A Promising Anti-Cancer and Anti-Oxidant Agents Based on the Pyrrole and Fused Pyrrole: Synthesis, Docking Studies and Biological Evaluation

    Article • Anti-Cancer Agents in Medicinal Chemistry, April 2015, Bentham Science Publishers

    Dr samar S fatahala Radwan , Dr. Shaymaa Emam Kassab

  18. Base-catalyzed one-step synthesis of 5,7-disubstituted-1,2,4-triazolo[1,5-a]pyrimidines

    Article • Tetrahedron Letters, February 2015, Elsevier

    Dr. Shaymaa Emam Kassab

  19. Design, synthesis, 3D pharmacophore, QSAR, and docking studies of carboxylic acid derivatives as Histone Deacetylase inhibitors and cytotoxic agents

    Article • Bioorganic Chemistry, December 2014, Elsevier

    Dr. Shaymaa Emam Kassab

  20. Synthesis of New 9-glycosyl-4,9-dihydropyrano [3,4-b]indole-1(3H)-ones as Antibacterial Agents

    Article • Nucleosides Nucleotides & Nucleic Acids, November 2011, Taylor & Francis

    Dr. Shaymaa Emam Kassab

  21. Synthesis of 1H-Indole-2,3-Dione-3-Thiosemicarbazone Ribonucleosides as Antibacterial Agents

    Article • Nucleosides Nucleotides & Nucleic Acids, January 2010, Taylor & Francis

    Dr. Shaymaa Emam Kassab