All Stories

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

    Article • Medicinal Chemistry, February 2024, Bentham Science Publishers

    Associate Professor Mahmoud A Al-Sha'er

  2. 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

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

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

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

    Associate Professor Mahmoud A Al-Sha'er

  4. 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

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

  5. 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

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

  6. 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

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

  7. 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

    Associate Professor Mahmoud A Al-Sha'er

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

    Article • Computational Biology and Chemistry, June 2019, Elsevier

    Associate Professor Mahmoud A Al-Sha'er

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

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

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

  10. 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

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

  11. 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

    Associate Professor Mahmoud A Al-Sha'er

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

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

    Associate Professor Mahmoud A Al-Sha'er

  13. 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

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

  14. 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

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

  15. 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, Associate Professor Mahmoud A Al-Sha'er, prof mutasem taha

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

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

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

  17. 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

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

  18. 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, Associate Professor Mahmoud A Al-Sha'er, prof mutasem taha

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

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

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

  20. 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

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

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

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

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

  22. 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

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