Muhammad Khattab

Dr. Khattab received his doctoral degree in Science from Swinburne University of Technology at Melbourne. He has experience in conducting research on pharmaceuticals as well as teaching experience. Muhammad’s research theme focuses on combining theory and experiment to define the 3D structure of approved drugs and drug candidates. He is currently concerned with computational repurposing of drugs for virology and oncology.

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Medicinal Chemistry

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  1. Khattab, M. (2020). Theoretical study of the geometric and electronic characterization of carbendazim-based drug (Nocodazole). Heliyon, 6(6), e04055.

  2. Al-Karmalawy, A. A., & Khattab, M. (2020). Molecular modelling of mebendazole polymorphs as a potential colchicine binding site inhibitor. New Journal of Chemistry, 44(33), 13990-13996.

  3. Khattab, M., Knowles, D., Wang, F., & Clayton, A. (2019). Structural and Spectroscopic Study of the Tyrosine Kinase Inhibitor PD-153035. Biophysical Journal, 116(3), 568a.

  4. Khattab, M., Wang, F., & Clayton, A. H. (2018). Conformational Plasticity in Tyrosine Kinase Inhibitor–Kinase Interactions Revealed with Fluorescence Spectroscopy and Theoretical Calculations. The Journal of Physical Chemistry B, 122(17), 4667-4679.

  5. Galal, S. A., Khattab, M., Shouman, S. A., Ramadan, R., Kandil, O. M., Kandil, O. M., ... & El Diwani, H. I. (2018). Part III: Novel checkpoint kinase 2 (Chk2) inhibitors; design, synthesis and biological evaluation of pyrimidine-benzimidazole conjugates. European journal of medicinal chemistry, 146, 687-708.

  6. Khattab, M., Van Dongen, M., Wang, F., & Clayton, A. H. (2017). Solvatochromism and linear solvation energy relationship of the kinase inhibitor SKF86002. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 170, 226-233.

  7. Khattab, M., Wang, F., & Clayton, A. H. (2017). A pH-induced conformational switch in a tyrosine kinase inhibitor identified by electronic spectroscopy and quantum chemical calculations. Scientific reports, 7(1), 1-10.

  8. Khattab, M., Wang, F., & Clayton, A. H. (2017). Micro-solvation of tyrosine-kinase inhibitor AG1478 explored with fluorescence spectroscopy and computational chemistry. RSC advances, 7(50), 31725-31735.

  9. Van Dongen, M., Khattab, M., Clayton, A. H., & Wang, F. (2017). Exploring the optical reporting characteristics of drugs: UV-Vis spectra and conformations of the tyrosine kinase inhibitor SKF86002. New Journal of Chemistry, 41(23), 14567-14573.

  10. Galal, S. A., Khattab, M., Andreadaki, F., Chrysina, E. D., Praly, J. P., Ragab, F. A., & El Diwani, H. I. (2016). Synthesis of (benzimidazol-2-yl) aniline derivatives as glycogen phosphorylase inhibitors. Bioorganic & medicinal chemistry, 24(21), 5423-5430.

  11. Khattab, M., Wang, F., & Clayton, A. H. (2016). UV–Vis spectroscopy and solvatochromism of the tyrosine kinase inhibitor AG-1478. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 164, 128-132.

  12. Khattab, M., Chatterjee, S., Clayton, A. H., & Wang, F. (2016). Two conformers of a tyrosine kinase inhibitor (AG-1478) disclosed using simulated UV-Vis absorption spectroscopy. New Journal of Chemistry, 40(10), 8296-8304.

  13. Khattab, M. K., Ragab, F. A. F., Galal, S. A., & El Diwani, H. I. (2014). Synthesis of 4-(1H-benzo [d] imidazol-2-yl) aniline derivatives of expected anti-HCV activity. Education, 2018.

  14. Khattab, M., Galal, S. A., Ragab, F. A., & El Diwani, H. I. (2013). Different synthetic routes to 4-(1 H-benzo [d] imidazol-2-yl) aniline. Research on Chemical Intermediates, 39(7), 2917-2923.


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