All Stories

  1. Development of triazine-piperazine hybrids as a novel class of anticancer agents: Synthesis, biological evaluation, and in silico insights

    Article • Journal of Molecular Structure, November 2026, Elsevier

    Full Professor Mahmoud A Al-Sha'er

  2. Novel 1,2,3-triazole-indole hybrid: synthesis, anti-cholinesterases, antioxidant activities, kinetic and molecular docking analysis

    Article • Journal of Molecular Structure, January 2026, Elsevier

    Full Professor Mahmoud A Al-Sha'er

  3. Novel spirooxindole compounds as anticancer agents: targeting Plk4 kinase through design, synthesis, and molecular docking

    Article • Pharmacia, June 2025, Pensoft Publishers

    Full Professor Mahmoud A Al-Sha'er

  4. New amidrazone analogs as multi-kinase inhibitors: in-silico and biological investigation as an anticancer agent

    Article • Medicinal Chemistry Research, March 2025, Springer Science + Business Media

    Full Professor Mahmoud A Al-Sha'er

  5. Novel 2-Aminobenzothiazole Derivatives: Docking, Synthesis, and Biological Evaluation as Anticancer Agents

    Article • ACS Omega, March 2024, American Chemical Society (ACS)

    Full Professor Mahmoud A Al-Sha'er

  6. In silico Evaluation of Ferulic Acid Based Multifunctional Conjugates as Potential Drug Candidates

    Article • Medicinal Chemistry, February 2024, Bentham Science Publishers

    Full Professor Mahmoud A Al-Sha'er

  7. Docking, synthesis, and anticancer assessment of novel quinoline-amidrazone hybrids

    Article • Pharmacia, January 2024, Pensoft Publishers

    Full Professor Mahmoud A Al-Sha'er

  8. Novel hydantoin derivatives: Synthesis and biological activity evaluation

    Article • Results in Chemistry, December 2023, Elsevier

    Full Professor Mahmoud A Al-Sha'er

  9. Development of phosphoinositide 3-kinase delta (PI3Kδ) inhibitors as potential anticancer agents through the generation of ligand-based pharmacophores and biological screening

    Article • Medicinal Chemistry Research, April 2023, Springer Science + Business Media

    prof mutasem taha, Full Professor Mahmoud A Al-Sha'er

  10. Evaluation of antibacterial, antioxidant, cytotoxic, and acetylcholinesterase inhibition activities of novel [1,4] benzoxazepines fused to heterocyclic systems with a molecular modeling study

    Article • Medicinal Chemistry Research, December 2022, Springer Science + Business Media

    Full Professor Mahmoud A Al-Sha'er

  11. Pharmacophore Modeling of Targets Infested with Activity Cliffs via Molecular Dynamics Simulation Coupled with QSAR and Comparison with other Pharmacophore Generation Methods: KDR as Case Study

    Article • Molecular Informatics, September 2022, Wiley

    prof mutasem taha, Full Professor Mahmoud A Al-Sha'er

  12. Discovery of new PKN2 inhibitory chemotypes via QSAR-guided selection of docking-based pharmacophores

    Article • Molecular Diversity, May 2022, Springer Science + Business Media

    prof mutasem taha, Full Professor Mahmoud A Al-Sha'er

  13. Identification of the First “Two Digit Nano-molar” Inhibitors of the Human Glyoxalase-I Enzyme as Potential Anticancer Agents

    Article • Medicinal Chemistry, May 2022, Bentham Science Publishers

    Full Professor Mahmoud A Al-Sha'er, Esraa Alzoubi

  14. Repurposing FDA-approved drugs against the “main protease” pivotal enzyme in COVID-19 virus using computer-aided drug design techniques

    Article • November 2021, Research Square

    Full Professor Mahmoud A Al-Sha'er

  15. Combined High Throughput Screening with QSAR Analysis Unravelling Potential Glyoxalase-I Inhibitors

    Article • Current Computer - Aided Drug Design, January 2021, Bentham Science Publishers

    Full Professor Mahmoud A Al-Sha'er

  16. Elaboration of Novel TTK1 Inhibitory Leads via QSAR-Guided Selection of Crystallographic Pharmacophores Followed By In vitro Assay

    Article • Current Computer - Aided Drug Design, June 2020, Bentham Science Publishers

    Full Professor Mahmoud A Al-Sha'er, prof mutasem taha

  17. Ligand Based Pharmacophore Modeling Followed by Biological Screening Lead to Discovery of Novel PDK1 Inhibitors as Anticancer Agents

    Article • Anti-Cancer Agents in Medicinal Chemistry, May 2020, Bentham Science Publishers

    Full Professor Mahmoud A Al-Sha'er, Professor Iman abdel-salam Mansi, prof mutasem taha

  18. Discovery of New Phosphoinositide 3-kinase Delta (PI3Kδ) Inhibitors via Virtual Screening using Crystallography-derived Pharmacophore Modelling and QSAR Analysis

    Article • Medicinal Chemistry, August 2019, Bentham Science Publishers

    Full Professor Mahmoud A Al-Sha'er, prof mutasem taha

  19. Investigation of binding characteristics of Phosphoinositide-dependent kinase-1 (PDK1) co-crystallized ligands through virtual pharmacophore modeling leading to novel anti – PDK1 hits

    Article • Medicinal Chemistry, July 2019, Bentham Science Publishers

    Full Professor Mahmoud A Al-Sha'er

  20. Combination of pharmacophore modeling and 3D-QSAR analysis of potential glyoxalase-I inhibitors as anticancer agents

    Article • Computational Biology and Chemistry, June 2019, Elsevier

    Full Professor Mahmoud A Al-Sha'er

  21. Ligand-based modeling of Akt3 lead to potent dual Akt1/Akt3 inhibitor

    Article • Journal of Molecular Graphics and Modelling, August 2018, Elsevier

    Full Professor Mahmoud A Al-Sha'er, prof mutasem taha

  22. Discovery of novel potent nuclear factor kappa-B inhibitors (IKK-β) via extensive ligand-based modeling and virtual screening

    Article • Journal of Molecular Recognition, December 2016, Wiley

    Full Professor Mahmoud A Al-Sha'er, prof mutasem taha

  23. Discovery of new heat shock protein 90 inhibitors using virtual co-crystallized pharmacophore generation

    Article • Journal of Enzyme Inhibition and Medicinal Chemistry, August 2016, Taylor & Francis

    Full Professor Mahmoud A Al-Sha'er

  24. Evaluation of novel Akt1 inhibitors as anticancer agents using virtual co-crystallized pharmacophore generation

    Article • Journal of Molecular Graphics and Modelling, November 2015, Elsevier

    Full Professor Mahmoud A Al-Sha'er

  25. Discovery of Check Point Kinase 1 (Chk1) Inhibitors as Potential Anticancer Agents Using Ligand-Based Modelling and Virtual Screening

    Article • Journal of In Silico & In Vitro Pharmacology, January 2015, Scitechnol Biosoft Pvt. Ltd.

    Full Professor Mahmoud A Al-Sha'er

  26. Discovery of nanomolar phosphoinositide 3-kinase gamma (PI3Kγ) inhibitors using ligand-based modeling and virtual screening followed by in vitro analysis

    Article • European Journal of Medicinal Chemistry, September 2014, Elsevier

    Full Professor Mahmoud A Al-Sha'er, prof mutasem taha

  27. Discovery of novel urokinase plasminogen activator (uPA) inhibitors using ligand-based modeling and virtual screening followed by in vitro analysis

    Article • Journal of Molecular Modeling, January 2014, Springer Science + Business Media

    Full Professor Mahmoud A Al-Sha'er, prof mutasem taha

  28. Design, Synthesis and Biological Evaluation of N4-Sulfonamido- Succinamic, Phthalamic, Acrylic and Benzoyl Acetic Acid Derivatives as Potential DPP IV Inhibitors

    Article • The Open Medicinal Chemistry Journal, November 2013, Bentham Science Publishers

    Prof. Reema Abu Khalaf, Full Professor Mahmoud A Al-Sha'er, prof mutasem taha

  29. Elaborate ligand-based modeling reveal new migration inhibitory factor inhibitors

    Article • Journal of Molecular Graphics and Modelling, May 2013, Elsevier

    Full Professor Mahmoud A Al-Sha'er, prof mutasem taha

  30. Application of docking-based comparative intermolecular contacts analysis to validate Hsp90α docking studies and subsequent in silico screening for inhibitors

    Article • Journal of Molecular Modeling, June 2012, Springer Science + Business Media

    Full Professor Mahmoud A Al-Sha'er, prof mutasem taha

  31. Design, synthesis, and biological evaluation of sulfonic acid ester and benzenesulfonamide derivatives as potential CETP inhibitors

    Article • Medicinal Chemistry Research, November 2011, Springer Science + Business Media

    Prof. Reema Abu Khalaf, Full Professor Mahmoud A Al-Sha'er, prof mutasem taha

  32. Rational exploration of new pyridinium-based HSP90α inhibitors tailored to thiamine structure

    Article • Medicinal Chemistry Research, January 2011, Springer Science + Business Media

    Full Professor Mahmoud A Al-Sha'er, prof mutasem taha

  33. Some sulfonamide drugs inhibit ATPase activity of heat shock protein 90: investigation by docking simulation and experimental validation

    Article • Journal of Enzyme Inhibition and Medicinal Chemistry, December 2010, Taylor & Francis

    Full Professor Mahmoud A Al-Sha'er, prof mutasem taha

  34. Elaborate Ligand-Based Modeling Reveals New Nanomolar Heat Shock Protein 90α Inhibitors

    Article • Journal of Chemical Information and Modeling, September 2010, American Chemical Society (ACS)

    Full Professor Mahmoud A Al-Sha'er, prof mutasem taha

  35. Discovery of novel CDK1 inhibitors by combining pharmacophore modeling, QSAR analysis and in silico screening followed by in vitro bioassay

    Article • European Journal of Medicinal Chemistry, September 2010, Elsevier

    Full Professor Mahmoud A Al-Sha'er, prof mutasem taha