All Stories

  1. Targeting TMPRSS2 for Prostate Cancer Therapy: A Multi-Step Computational Approach for Identifying Novel Inhibitors
  2. Decoding gout pathogenesis: target discovery and drug design through computational models
  3. In Silico target identification and drug discovery for 5-proFAR isomerase inhibitors in critical fungal pathogens
  4. Synthesis, Molecular Docking Studies and Biological Evaluation of N-(α-Benzamido Cinnamoyl) Piperonal Hydrazones
  5. Mutation Analysis of SARS-CoV-2 Variants Isolated from Symptomatic Cases from Andhra Pradesh, India
  6. Molecular Characterization and Identification of Potential Inhibitors for ‘E’ Protein of Dengue Virus
  7. In silico trials to design potent inhibitors against matrilysin (MMP-7)
  8. In silico exploration of lignin peroxidase for unraveling the degradation mechanism employing lignin model compounds
  9. Novel and potent inhibitors for dihydropteroate synthase ofHelicobacter pylori
  10. Synthesis, Molecular Docking Studies and Biological Evaluation of N-Acylarylhydrazones as Anti-Inflammatory Agents
  11. Integration of core hopping, quantum-mechanics, molecular mechanics coupled binding-energy estimations and dynamic simulations for fragment-based novel therapeutic scaffolds against Helicobacter pylori strains
  12. In silico probing exercises, bioactive-conformational and dynamic simulations strategies for designing and promoting selective therapeutics against Helicobacter pylori strains
  13. Hierarchical-Clustering, Scaffold-Mining Exercises and Dynamics Simulations for Effectual Inhibitors Against Lipid-A Biosynthesis of Helicobacter pylori
  14. Epitope-driven common subunit vaccine design against H. pylori strains
  15. In silico Prediction, Characterization, Molecular Docking, and Dynamic Studies on Fungal SDRs as Novel Targets for Searching Potential Fungicides Against Fusarium Wilt in Tomato
  16. An in silico study: Novel targets for potential drug and vaccine design against drug resistant H. pylori
  17. Synthesis, Biological Evaluation and Docking Studies of N-(2-benzamido feruloyl) Aryl Hydrazone Analogues
  18. Analgesic activity of Alpinia galanga extract in mice models and TNF-alpha receptor computational docking analysis on its leads with pharmacokinetics prediction
  19. E-Pharmacophore Model Assisted Discovery of Novel Antagonists of nNOS
  20. Inhibitor design against JNK1 through e-pharmacophore modeling docking and molecular dynamics simulations
  21. Inhibitor Design for VacA Toxin of Helicobacter pylori
  22. 197 Combination of e-pharmacophore modeling, multiple docking strategies and molecular dynamic simulations to discover of novel antagonists of BACE1