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  1. Evaluation of Binding of Rosmarinic Acid with Human Transferrin and Its Impact on the Protein Structure: Targeting Polyphenolic Acid-Induced Protection of Neurodegenerative Disorders

    Article • Oxidative Medicine and Cellular Longevity, November 2020, Hindawi Publishing Corporation

    Taj Mohammad

  2. InstaDock: A single-click graphical user interface for molecular docking-based virtual high-throughput screening

    Article • Briefings in Bioinformatics, October 2020, Oxford University Press (OUP)

    Taj Mohammad

  3. Design and Development of Novel Urea, Sulfonyltriurea, and Sulfonamide Derivatives as Potential Inhibitors of Sphingosine Kinase 1

    Article • Pharmaceuticals, June 2020, MDPI AG

    Taj Mohammad

  4. Insights into the Conserved Regulatory Mechanisms of Human and Yeast Aging

    Article • Biomolecules, June 2020, MDPI AG

    Taj Mohammad

  5. Glecaprevir and Maraviroc are high-affinity inhibitors of SARS-CoV-2 main protease: possible implication in COVID-19 therapy

    Article • Bioscience Reports, June 2020, Portland Press Ltd.

    Taj Mohammad

  6. MARK4 Inhibited by AChE Inhibitors, Donepezil and Rivastigmine Tartrate: Insights into Alzheimer’s Disease Therapy

    Article • Biomolecules, May 2020, MDPI AG

    Taj Mohammad

  7. Discovery of Hordenine as a Potential Inhibitor of Pyruvate Dehydrogenase Kinase 3: Implication in Lung Cancer Therapy

    Article • Biomedicines, May 2020, MDPI AG

    Taj Mohammad, Prof. Dr. Abdullah M. Asiri

  8. Virtual Screening Approach to Identify High-Affinity Inhibitors of Serum and Glucocorticoid-Regulated Kinase 1 among Bioactive Natural Products: Combined Molecular Docking and Simulation Studies

    Article • Molecules, February 2020, MDPI AG

    Taj Mohammad

  9. Identification of high-affinity inhibitors of pyruvate dehydrogenase kinase-3: towards therapeutic management of cancer

    Article • Journal of Biomolecular Structure and Dynamics, January 2020, Taylor & Francis

    Taj Mohammad

  10. Targeting metacaspase-3 from Plasmodium falciparum towards antimalarial therapy: A combined approach of in-silico and in-vitro investigation

    Article • Journal of Biomolecular Structure and Dynamics, January 2020, Taylor & Francis

    Taj Mohammad

  11. Mutated CEACAMs Disrupt Transforming Growth Factor Beta Signaling and Alter the Intestinal Microbiome to Promote Colorectal Carcinogenesis

    Article • Gastroenterology, January 2020, Elsevier

    Taj Mohammad

  12. Investigation of conformational dynamics of Tyr89Cys mutation in protection of telomeres 1 gene associated with familial melanoma

    Article • Journal of Biomolecular Structure and Dynamics, December 2019, Taylor & Francis

    Taj Mohammad

  13. Identification of High-Affinity Inhibitors of Cyclin-Dependent Kinase 2 Towards Anticancer Therapy

    Article • Molecules, December 2019, MDPI AG

    Taj Mohammad

  14. Evaluation of binding and inhibition mechanism of dietary phytochemicals with sphingosine kinase 1: Towards targeted anticancer therapy

    Article • Scientific Reports, December 2019, Springer Science + Business Media

    Taj Mohammad

  15. Virtual high-throughput screening of natural compounds in-search of potential inhibitors for protection of telomeres 1 (POT1)

    Article • Journal of Biomolecular Structure and Dynamics, October 2019, Taylor & Francis

    Taj Mohammad, Asimul Islam

  16. Evaluation of ellagic acid as an inhibitor of sphingosine kinase 1: A targeted approach towards anticancer therapy

    Article • Biomedicine & Pharmacotherapy, October 2019, Elsevier

    Taj Mohammad

  17. Identification and evaluation of glutathione conjugate gamma-l-glutamyl-l-cysteine for improved drug delivery to the brain

    Article • Journal of Biomolecular Structure and Dynamics, September 2019, Taylor & Francis

    Taj Mohammad, Professor Farhan Jalees Ahmad

  18. Unraveling Binding Mechanism of Alzheimer’s Drug Rivastigmine Tartrate with Human Transferrin: Molecular Docking and Multi-Spectroscopic Approach towards Neurodegenerative Diseases

    Article • Biomolecules, September 2019, MDPI AG

    Taj Mohammad, Prof. moyad jamal shahwan

  19. Investigation of inhibitory potential of quercetin to the pyruvate dehydrogenase kinase 3: Towards implications in anticancer therapy

    Article • International Journal of Biological Macromolecules, September 2019, Elsevier

    Taj Mohammad

  20. Identification of α-Mangostin as a Potential Inhibitor of Microtubule Affinity Regulating Kinase 4

    Article • Journal of Natural Products, July 2019, American Chemical Society (ACS)

    Taj Mohammad

  21. Structural Analysis and Conformational Dynamics of STN1 Gene Mutations Involved in Coat Plus Syndrome

    Article • Frontiers in Molecular Biosciences, June 2019, Frontiers

    Taj Mohammad

  22. Investigating the structural features of chromodomain proteins in the human genome and predictive impacts of their mutations in cancers

    Article • International Journal of Biological Macromolecules, June 2019, Elsevier

    Taj Mohammad

  23. Structural and functional impact of non-synonymous SNPs in the CST complex subunit TEN1: structural genomics approach

    Article • Bioscience Reports, May 2019, Portland Press Ltd.

    Taj Mohammad

  24. Impact of Gln94Glu mutation on the structure and function of protection of telomere 1, a cause of cutaneous familial melanoma

    Article • Journal of Biomolecular Structure and Dynamics, April 2019, Taylor & Francis

    Taj Mohammad, Asimul Islam

  25. Identification and Evaluation of Inhibitors of Lipase from Malassezia restricta using Virtual High-Throughput Screening and Molecular Dynamics Studies

    Article • International Journal of Molecular Sciences, February 2019, MDPI AG

    Taj Mohammad, Dr. Faez Iqbal Khan

  26. Molecular interaction studies on ellagic acid for its anticancer potential targeting pyruvate dehydrogenase kinase 3

    Article • RSC Advances, January 2019, Royal Society of Chemistry

    Taj Mohammad

  27. Docking and Molecular Dynamics Simulations in Drug Discovery Process

    Article • Current Topics in Medicinal Chemistry, December 2018, Bentham Science Publishers

    Taj Mohammad

  28. Structural and functional impact of non- synonymous SNPs in the CST complex subunit TEN1: Structural genomics approach

    Article • December 2018, Cold Spring Harbor Laboratory Press

    Taj Mohammad

  29. Investigation of deleterious effects of nsSNPs in thePOT1gene: a structural genomics‐based approach to understand the mechanism of cancer development

    Article • Journal of Cellular Biochemistry, December 2018, Wiley

    Taj Mohammad

  30. Identification and evaluation of bioactive natural products as potential inhibitors of human microtubule affinity-regulating kinase 4 (MARK4)

    Article • Journal of Biomolecular Structure and Dynamics, May 2018, Taylor & Francis

    Taj Mohammad, Dr. Faez Iqbal Khan

  31. Exploring molecular insights into the interaction mechanism of cholesterol derivatives with the Mce4A: A combined spectroscopic and molecular dynamic simulation studies

    Article • International Journal of Biological Macromolecules, May 2018, Elsevier

    Taj Mohammad, Dr. Faez Iqbal Khan

  32. Investigation of molecular mechanism of recognition between citral and MARK4: A newer therapeutic approach to attenuate cancer cell progression

    Article • International Journal of Biological Macromolecules, February 2018, Elsevier

    Dr. Faez Iqbal Khan, Taj Mohammad