All Stories

  1. New amidrazone analogs as multi-kinase inhibitors: in-silico and biological investigation as an anticancer agent
  2. Novel 2-Aminobenzothiazole Derivatives: Docking, Synthesis, and Biological Evaluation as Anticancer Agents
  3. In silico Evaluation of Ferulic Acid Based Multifunctional Conjugates as Potential Drug Candidates
  4. Docking, synthesis, and anticancer assessment of novel quinoline-amidrazone hybrids
  5. Novel hydantoin derivatives: Synthesis and biological activity evaluation
  6. Development of phosphoinositide 3-kinase delta (PI3Kδ) inhibitors as potential anticancer agents through the generation of ligand-based pharmacophores and biological screening
  7. Evaluation of antibacterial, antioxidant, cytotoxic, and acetylcholinesterase inhibition activities of novel [1,4] benzoxazepines fused to heterocyclic systems with a molecular modeling study
  8. 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
  9. Discovery of new PKN2 inhibitory chemotypes via QSAR-guided selection of docking-based pharmacophores
  10. Identification of the First “Two Digit Nano-molar” Inhibitors of the Human Glyoxalase-I Enzyme as Potential Anticancer Agents
  11. Repurposing FDA-approved drugs against the “main protease” pivotal enzyme in COVID-19 virus using computer-aided drug design techniques
  12. Combined High Throughput Screening with QSAR Analysis Unravelling Potential Glyoxalase-I Inhibitors
  13. Elaboration of Novel TTK1 Inhibitory Leads via QSAR-Guided Selection of Crystallographic Pharmacophores Followed By In vitro Assay
  14. Ligand Based Pharmacophore Modeling Followed by Biological Screening Lead to Discovery of Novel PDK1 Inhibitors as Anticancer Agents
  15. Discovery of New Phosphoinositide 3-kinase Delta (PI3Kδ) Inhibitors via Virtual Screening using Crystallography-derived Pharmacophore Modelling and QSAR Analysis
  16. Investigation of binding characteristics of Phosphoinositide-dependent kinase-1 (PDK1) co-crystallized ligands through virtual pharmacophore modeling leading to novel anti – PDK1 hits
  17. Combination of pharmacophore modeling and 3D-QSAR analysis of potential glyoxalase-I inhibitors as anticancer agents
  18. Ligand-based modeling of Akt3 lead to potent dual Akt1/Akt3 inhibitor
  19. Discovery of novel potent nuclear factor kappa-B inhibitors (IKK-β) via extensive ligand-based modeling and virtual screening
  20. Discovery of new heat shock protein 90 inhibitors using virtual co-crystallized pharmacophore generation
  21. Evaluation of novel Akt1 inhibitors as anticancer agents using virtual co-crystallized pharmacophore generation
  22. Discovery of Check Point Kinase 1 (Chk1) Inhibitors as Potential Anticancer Agents Using Ligand-Based Modelling and Virtual Screening
  23. Discovery of nanomolar phosphoinositide 3-kinase gamma (PI3Kγ) inhibitors using ligand-based modeling and virtual screening followed by in vitro analysis
  24. Discovery of novel urokinase plasminogen activator (uPA) inhibitors using ligand-based modeling and virtual screening followed by in vitro analysis
  25. Design, Synthesis and Biological Evaluation of N4-Sulfonamido- Succinamic, Phthalamic, Acrylic and Benzoyl Acetic Acid Derivatives as Potential DPP IV Inhibitors
  26. Elaborate ligand-based modeling reveal new migration inhibitory factor inhibitors
  27. Application of docking-based comparative intermolecular contacts analysis to validate Hsp90α docking studies and subsequent in silico screening for inhibitors
  28. Design, synthesis, and biological evaluation of sulfonic acid ester and benzenesulfonamide derivatives as potential CETP inhibitors
  29. Rational exploration of new pyridinium-based HSP90α inhibitors tailored to thiamine structure
  30. Some sulfonamide drugs inhibit ATPase activity of heat shock protein 90: investigation by docking simulation and experimental validation
  31. Elaborate Ligand-Based Modeling Reveals New Nanomolar Heat Shock Protein 90α Inhibitors
  32. Discovery of novel CDK1 inhibitors by combining pharmacophore modeling, QSAR analysis and in silico screening followed by in vitro bioassay