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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, Ravins Dohare

  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, Ravins Dohare

  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, Ravins Dohare

  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, Ravins Dohare

  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, Ravins Dohare

  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, Ravins Dohare

  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