Prof. Dr. Shaymaa Kassab
About me
Prof. Kassab specializes in mitigating the deleterious consequences of pan-inhibition through the selective inhibition of specific isozymes involved in severe illnesses. Dr. Kassab's current research focuses on the development of selective inhibitors of cyclooxygenase-2 (COX-2) with minimal cardiovascular system (CVS) concerns and selective inhibitors of histone deacetylase (HDAC-6) with reduced cytotoxic effects. She recently had a chapter published in a medicinal chemistry book with the ISBN 978-953-51-6985-7 titled "Indomethacin: From Anti-inflammatory to Anticancer Agent." She is now a member of the review committees for the "European Journal of Medicinal Chemistry", "Journal of Medicinal Chemistry", "Bioorganic Chemistry", and "ACS Omega". In addition, she has made significant progress in producing synthetic and scalable medication candidates by employing laboratory-friendly reaction conditions and reducing the number of chemical reactions. Dr. Kassab is leading a team of STDF-funded researchers to develop a full antagonist that selectively targets the estrogen receptor by modifying the topologies of partial agonists. Dr. Kassab made significant contributions to the national "Egypt free from virus C" campaign.
Prof. Kassab specializes in mitigating the deleterious consequences of pan-inhibition through the selective inhibition of specific isozymes involved in severe illnesses. Dr. Kassab's current research focuses on the development of selective inhibitors of cyclooxygenase-2 (COX-2) with minimal cardiovascular system (CVS) concerns and selective inhibitors of histone deacetylase (HDAC-6) with reduced cytotoxic effects. She recently had a chapter published in a medicinal chemistry book with the ISBN 978-953-51-6985-7 titled "Indomethacin: From Anti-inflammatory to Anticancer Agent." She is now a member of the review committees for the "European Journal of Medicinal Chemistry", "Journal of Medicinal Chemistry", "Bioorganic Chemistry", and "ACS Omega". In addition, she has made significant progress in producing synthetic and scalable medication candidates by employing laboratory-friendly reaction conditions and reducing the number of chemical reactions. Dr. Kassab is leading a team of STDF-funded researchers to develop a full antagonist that selectively targets the estrogen receptor by modifying the topologies of partial agonists. Dr. Kassab made significant contributions to the national "Egypt free from virus C" campaign.
Degrees:
1. Kassab, S. E.; Hegazy, G. H.; Eid, N. M.; Amin, K. M.; El-Gendy, A. A., Synthesis of 1H-indole-2,3-dione-3-thiosemicarbazone Ribonucleosides as Antibacterial Agents", Nucleosides Nucleotides Nucleic Acids, 2010, 29, 72 – 80.
2. Kassab, S. E.; Hegazy, G. H.; Eid, N. M.; Amin, K. M.; El-Gendy, A. A., Synthesis of New 9-glycosyl-4,9-dihydropyrano[3,4-b]indole-1(3H)-ones as Antibacterial Agents" Nucleosides Nucleotides Nucleic Acids 2011, 30, 991 – 998.
3. Abdel-Atty, M. M.; Farag, N. A.; Kassab, S. E.; Serya, R. A. T., Abouzid, K. A. M., Design, Synthesis, 3D pharmacophore, QSAR, and docking studies of carboxylic acid derivatives as histone deacetylase inhibitors, Bioorganic Chemistry 2014, 57, 65-82.
4. Xinhua, H.; Kassab, S. E.; Geoffery, H.; Xue, F., Base-catalyzed one-step
synthesis of 5,7-disubstituted-1,2,4-triazolo[1,5-a]pyrimidines, Tetrahedron
Letters 2015, 56, 1034-1037.
5. Fatahala, S. S.; Shalaby, E. A.; Kassab, S. E.; Mohamed, M. S., A Promising Anti-
Cancer and Anti-Oxidant Agents Based on the Pyrrole and Fused Pyrrole:
Synthesis, Docking Studies and Biological Evaluation, Anticancer Agents in
Medicinal Chemistry 2015, 15(4), 517-526.
6. Kassab, S. E.*; Khedr, M. A.; Aly, H. I.; Abdallah, M. M., Discovery of New Indomethacin-based analogs with Potentially Selective Cyclooxygenase-2 Inhibition and Observed Diminishing to PGE2 activities, European Journal of Medicinal Chemistry 2017, 141, 306-321.
7. ElBordiny, H. S., El-Miligy, M. M.; Kassab, S. E.*; Daabees, H.; El-Hawash, S. A. M; Ali, W. A. M., Design, synthesis, biological evaluation and docking studies of new 3-(4,5-dihydro-1H-pyrazol/isoxazol-5-yl)-2-phenyl-1H-indole derivatives as potent antioxidants and 15-lipoxygenase inhibitors, European Journal of Medicinal Chemistry 2018, 145, 594-605.
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8. Kassab, S. E.*; Mowafy, S.; Alserw, A. M.; Seliem, J. A.; l-Naggar, S. M.; Omar, N. N.; Awad, M. M., Structure-based design generated novel hydroxamic acid based preferential HDAC6 lead inhibitor with on-target cytotoxic activity against primary choroid plexus carcinoma, Journal of Enzyme Inhibition and Medicinal Chemistry 2019, 34, 1062-1077.
9. Rashad, A. Y.; Kassab, S. E.; Daabees, H. G.; Moneim, A. E. A.; Rostom; S. A. F., 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, Bioorganic Chemistry, 2021, 113, 104948.
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Kassab, S. E.*; Mowafy, S., Structural basis of selective human indoleamine‐2, 3‐dioxygenase 1 (hIDO1) inhibition, ChemMedChem, 2021, 16 (20), 3149-3164.
11. Mahmoud A Ragab, Mohamed Elagawany, Hoda Daabees, Al-Shaimaa F Ahmed, Eman M Awad, Cyrielle Billon, Bahaa Elgendy, Khaled AM Abouzid*, Shaymaa E Kassab*, Structure-based design and synthesis of conformationally constrained derivatives of methyl-piperidinopyrazole (MPP) with estrogen receptor (ER) antagonist activity, Bioorganic Chemistry, 2022, 119, 105554.
12. Nada H El-Dershaby, Soad A El-Hawash, Shaymaa E Kassab, Hoda G Dabees, Ahmed E Abdel Moneim, Ibrahim A Abdel Wahab, Mohammad M Abd-Alhaseeb, Mostafa MM El-Miligy, Rational design of biodegradable sulphonamide candidates treating septicaemia by synergistic dual inhibition of COX-2/PGE2 axis and DHPS enzyme, Journal of enzyme inhibition and medicinal chemistry, 2022, 37, 1737-1751.
13. Ahmed I Khodair, Shaymaa E Kassab, Nabila A Khedr, Asmaa M Fahim, 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, Carbohydrate Research, 2022, 514, 108546.
14. Mostafa M Elbadawi, Ahmed I Khodair, Mohamed K Awad, Shaymaa E Kassab, Mohammed T Elsaady, Khaled RA Abdellatif, Design, synthesis and biological evaluation of novel thiohydantoin derivatives as antiproliferative agents: A combined experimental and theoretical assessments, Journal of Molecular Structure, 2022, 1249, 131574.
15. Nada H El-Dershaby, Soad A El-Hawash, Shaymaa E Kassab, Hoda G Daabees, Ahmed E Abdel Moneim, Mostafa MM El-Miligy, 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, Pharmaceuticals, 2022, 15, 1165.
16. Ahmed I. Khodair*, Salwa M. El-Hallouty, Brittnee Cagle-White, May H. Abdel Aziz, Mahmoud Kh Hanafy, Samar Mowafy, Nadia M. Hamdy*, Shaymaa E. Kassab*, Camptothecin structure simplification elaborated new imidazo[2,1-b]quinazoline
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derivative as a human topoisomerase I inhibitor with efficacy against bone cancer cells and colon adenocarcinoma, European Journal of Medicinal Chemistry 2024, 265, 116049.
17. Amr S Abouzied, Bahaa Alshammari, Hayam Kari, Bader Huwaimel, Saad Alqarni, Shaymaa E Kassab, AI-DPAPT: a machine learning framework for predicting PROTAC activity, Molecular Diversity, 2024, 1-13.
18. Kassab, S. E.*, A new computational cross-structure-activity relationship (C-SAR) approach applies to a selective HDAC6 inhibitor dataset for accelerated structure development, Computers in Biology and Medicine, 2025, 192, 110169.
19. Bader Huwaimel a b, Amr S. Abouzied a b, Abdul-Hamid Emwas c, Al-Shaimaa F. Ahmed d, Mohamed K.S. El-Nagar e, Hamdoon A. Mohammed f, Nader M. Alrashidi g, Marwan A. Alrashidi g, Rakan E. Alshammari g, Abdulelah Y. Albladi g, Saad Alqarni a, Shaymaa E. Kassab h*, Precise structure manipulation of selective estrogen receptor modulators led to first-in-class thiophene-3-benzamide derivatives as potential ER-antagonists without uterotrophic activity, Bioorganic Chemistry, 2025, 161, 108512.
20. Nadia M. Hamdy*, Eman F. Sanad1, Shaymaa E. Kassab*, Merhan Essam, Monica A. Guirguis, Emad B. Basalious, Ahmed S. Sultan, Chembioinformatics data-driven Engineering of Exosomal Cargo Vehicle for Telmisartan and Pioglitazone Targeted Delivery for Treatment of Non-Small Cell Lung Cancer, Scientific Reports, 2025, 15, 25166.