All Stories

  1. Copper–Schiff base complexes as next-generation antimicrobials: Integrated synthesis, characterization, and computational insights

    Article • Journal of Molecular Structure, October 2026, Elsevier

    Bushra Shakoor

  2. Structure-Based Virtual Screening and Computational Evaluation of Putative Mushroom-Associated Natural Compounds as Janus Kinase 1 (JAK1) Inhibitors: An In Silico Study

    Article • Current Medicinal Chemistry, September 2026, Bentham Science Publishers

    Bushra Shakoor

  3. Pyrimidine derivatives with cholinesterase inhibitory, anticonvulsant, and anticancer activities evaluated through experimental and computational studies

    Article • Scientific Reports, August 2026, Springer Science + Business Media

    Bushra Shakoor

  4. Design and synthesis of 2,5-di(pyridin-4-yl)-1,3,4-oxadiazole: structural elucidation, DFT insights, and preliminary in silico biological evaluation

    Article • Scientific Reports, June 2026, Springer Science + Business Media

    Bushra Shakoor

  5. Synthesis and evaluation of vanillin-based sulfonates as potent α-glucosidase inhibitors through in vitro, in vivo, and in silico approaches

    Article • Scientific Reports, May 2026, Springer Science + Business Media

    Bushra Shakoor

  6. Smart Nanocomposites to Combat Drug-Resistant Bacterial Infections

    Article • Current Organic Synthesis, May 2026, Bentham Science Publishers

    Dr Manar Alawi, Bushra Shakoor

  7. Biogenic Polyphenol Oxidase–Al 2 O 3 Nanoconjugates Mediated by Pleurotus ostreatus for Antioxidant Act...

    Article • Journal of Computational Biophysics and Chemistry, May 2026, World Scientific Pub Co Pte Lt

    Bushra Shakoor

  8. Designing the macrolide-amygdalin complexes as CDK6 inhibitors: A multi-algorithm approach to develop safe and effective drugs through molecular docking, ADMET, molecular dynamic simulation and DFT studies

    Article • Folia Microbiologica, April 2026, Springer Science + Business Media

    Bushra Shakoor

  9. Nutritional Support for Wound Healing

    Article • March 2026, Taylor & Francis

    Bushra Shakoor

  10. Design and Characterization of (2Z,2Z)-3,3′-[hexane-1,6-bis(azanediyl)]bis(pent‑2-enone) with Dual Therapeutic Potential Against Alzheimer's Disease and Cancer

    Article • Journal of Molecular Structure, March 2026, Elsevier

    Prof. Dr. Rachid Touzani, Bushra Shakoor

  11. Behavioral and biomarker assessment of flavonols as multifunctional neuroprotective nootropic agents

    Article • Future Medicinal Chemistry, February 2026, Taylor & Francis

    Bushra Shakoor

  12. De novo transcriptome sequencing of Artemisia absinthium predicted anti-SARS-CoV2 (COVID-19) bioactive secondary metabolites

    Article • Plant Biosystems, January 2026, Springer Science + Business Media

    Bushra Shakoor

  13. Coumarin hybrids as privileged therapeutic scaffolds: biological activities, mechanistic insights, and therapeutic potential

    Article • RSC Advances, January 2026, Royal Society of Chemistry

    Bushra Shakoor

  14. Discovery of 4-aminochalcone-based dual α-glucosidase and aldose reductase inhibitors: in vitro , in vivo , and in silico ...

    Article • RSC Advances, January 2026, Royal Society of Chemistry

    Bushra Shakoor

  15. Aurone-based α-glucosidase inhibitors for antidiabetic therapy: in vitro , in vivo , and in silico studies

    Article • Future Medicinal Chemistry, November 2025, Taylor & Francis

    Bushra Shakoor

  16. Phytochemical profiling, antioxidant potential, and in silico evaluation of Carica papaya seed oil

    Article • Results in Chemistry, November 2025, Elsevier

    Bushra Shakoor

  17. Protective effects of Rosa canina fruit extract against kidney damage induced by CCl4

    Article • Regulatory Toxicology and Pharmacology, November 2025, Elsevier

    Bushra Shakoor

  18. Thioflavonols as potent α-glucosidase inhibitors: in vitro , in vivo , and computational analysis

    Article • Future Medicinal Chemistry, October 2025, Taylor & Francis

    Bushra Shakoor

  19. Computational Identification and Evaluation of Perlolyrine as a Promising AT1R Antagonist for Hypertension Therapy

    Article • September 2025, Springer Science + Business Media

    Bushra Shakoor

  20. Flavonols as potent inhibitors of tyrosinase & pancreatic lipase: synthesis, docking, MD simulation, DFT, and ADMET

    Article • Future Medicinal Chemistry, August 2025, Taylor & Francis

    Bushra Shakoor

  21. Melatonin's paradox: From therapeutic benefits to toxicity warnings

    Article • Chemico-Biological Interactions, August 2025, Elsevier

    Bushra Shakoor

  22. Piperidines as dual inhibitors of tyrosinase and pancreatic lipase: in vitro and in silico mechanistic insights

    Article • Future Medicinal Chemistry, July 2025, Taylor & Francis

    Bushra Shakoor

  23. Avicenna’s approach to the treatment of rabies in the perspective of current medicine

    Article • Wiener Medizinische Wochenschrift, July 2025, Springer Science + Business Media

    Bushra Shakoor

  24. Recent Advances in 1,2,4‐Triazole‐Based Anticancer Agents: Structural Optimization, Mechanisms, and Therapeutic Potential (2022–2025)

    Article • Archiv der Pharmazie, July 2025, Wiley

    Bushra Shakoor

  25. Design, synthesis, characterization and biological screening of novel thiosemicarbazones and their derivatives with potent antibacterial and antidiabetic activities

    Article • Journal of Molecular Structure, January 2025, Elsevier

    Bushra Shakoor

  26. A Novel Compound with Potential for Dual Therapy Against Alzheimer's Disease and Cancer Synthesis, Crystal Structure Analysis, Dft Studies, Molecular Docking and Toxicity Prediction

    Article • January 2025, Elsevier

    Bushra Shakoor

  27. Molecular docking and computational assessment of spectroscopic analysis of ethyl 3-(4-chloro-2-methylphenylamino)-3-phenylacrylate as a potential antibacterial agent

    Article • New Journal of Chemistry, January 2025, Royal Society of Chemistry

    Bushra Shakoor

  28. Correction: Molecular docking and computational assessment of spectroscopic analysis of ethyl 3-(4-chloro-2-methylphenylamino)-3-phenylacrylate as a potential antibacterial agent

    Article • New Journal of Chemistry, January 2025, Royal Society of Chemistry

    Bushra Shakoor

  29. A virtual insight into mushroom secondary metabolites: 3D-QSAR, docking, pharmacophore-based analysis and molecular modeling to analyze their anti-breast cancer potential

    Article • Journal of Biomolecular Structure and Dynamics, February 2024, Taylor & Francis

    Dr Simone Brogi, Bushra Shakoor

  30. In Silico ADME/Tox Profiling of Mushroom Secondary Metabolites

    Article • ChemistrySelect, January 2024, Wiley

    Bushra Shakoor