Dr. Ahmed Taha Ayoub is a Lecturer of Chemistry at the Faculty of Pharmacy and Drug Technology at Heliopolis University for Sustainable Development. He earned his PhD in Computational Chemistry and Drug Design at the University of Alberta, Canada in 2015.

Dr. Ayoub’s research interests include theoretical and computational chemistry and computer-aided drug design employing structure-based techniques toward the development of anti-cancer chemotherapeutic agents, especially those targeting cellular microtubules. He is also interested in studying the stability of microtubules and its response to different physiological and physical triggers. In addition, he employs ab initio quantum mechanics to guide laboratory protocols in the development of molecularly imprinted polymer nanoparticles.

Dr. Ayoub has been working on many scholarly projects related to different topics such as lankacidin optimization, microtubule stability and response to electrical stimuli, and computer-aided design of molecularly imprinted polymer nanoparticles.

In recognition of his outstanding scientific achievements, Dr. Ayoub has been awarded the President’s International Doctoral Award in 2010 by the University of Alberta, Canada and the Joint Egyptian Japanese Scientific Collaboration Grant in 2018 by the Science and Technology Development Fund (STDF), Egypt.

Dr. Ayoub has many scholarly publications that include:

  • Attallah, O. A.; Al-Ghobashy, M. A.; Ayoub, A. T.; Nebsen, M.; Magnetic Molecularly Imprinted Polymer Nanoparticles for Simultaneous Extraction and Determination of 6-mercaptopurine and its Active Metabolite Thioguanine in Human Plasma. J. Chromatogr. A. 2018; 1561:28-38.
  • Attallah, O. A.; Al-Ghobashy, M. A.; Ayoub, A. T.; Tuszynski, J. A.; Nebsen, M.; Computer-aided design of magnetic molecularly imprinted polymer nanoparticles for solid-phase extraction and determination of levetiracetam in human plasma. RSC Adv. 2018; 8(26): 14280-14292.
  • Ayoub, A. T.; Staelens, M.; Prunotto, A; Deriu, M. A.; Danani, A.; Klobukowski, M.; Tuszynski. J. A.; Microtubule Energy Balance: Contributions Due to Dipole Moments, Charges, van Der Waals and Solvation Energy. I. J. Mol. Sci. 2017; 18(10): 2042
  • Spasevska, I.; Ayoub, A. T.; Winter, P.; Preto, J.; Wong, G.; Dumontet, C.; Tuszynski, J. Modeling the Colchicum autumnale tubulin and a comparison of its interaction with colchicine to human tubulin. I. J. Mol. Sci. 2017; 18(8):1676.
  • Ayoub, A. T.; Abou El-Magd, R. M.; Xiao, J.; Lewis, C. W.; Tilli, T. M.; Arakawa, K.; Nindita, Y.; Chan, G.; Sun, L.; Glover, M.; Klobukowski, M.; Tuszynski, J. Antitumor Activity of Lankacidin Group Antibiotics Is Due to Microtubule Stabilization via a Paclitaxel-like Mechanism. J. Med. Chem. 2016; 59(20): 9532-9540.
  • Minu, M.; Singh, D.; Mahaddalkar, T.; Lopus, M.; Winter, P.; Ayoub, A. T.; Missiaen, K.; Tilli, T.; Pasdar, M.; Tuszynski, J. Chemical synthesis, pharmacological evaluation and in silico analysis of new 2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole derivatives as potential anti-mitotic agents. Bioorg. Med. Chem. Lett. 2016; 26(16): 3855-3661.
  • George, M.; Ayoub, A. T.; Banerjee, A.; Churchill, C.; Winter, P.; Klobukowski,M.; Cass, C.; Luduena, R.; Tuszynski, J. A.; Damaraju, S. Designing and Testing of Novel Taxanes to Probe the Highly Complex Mechanisms by Which Taxanes Bind to Microtubules and Cause Cytotoxicity to Cancer Cells. PLOS ONE, 2015; 10(6):e0129168.
  • Ayoub, A. T.; Klobukowski, M.; Tuszynski. J. A. Detailed Per-residue Energetic Analysis Explains the Driving Force for Microtubule Disassembly. PLOS Comput. Biol. 2015; 11(6):e1004313.
  • Craddock, T.J.; Hameroff, S.R.; Ayoub, A.T.; Klobukowski, M.; Tuszynski, J. A. Anesthetics Act in Quantum Channels in Brain Microtubules to Prevent Consciousness. Curr. Top. Med. Chem. 2015; 15(6):523-33.
  • Ayoub, A.T.; Craddock, T.J.; Klobukowski, M.; Tuszynski, J.; Analysis of the Strength of Interfacial Hydrogen Bonds between Tubulin Dimers using Quantum Theory of Atoms in Molecules. Biophys. J. 2014; 107(3):740-50.
  • Ayoub, A.T.; Tuszynski, J.; Klobukowski, M. Estimating Hydrogen Bond Energies: Comparison of Methods. Theor. Chem. Acc. 2014; 133(8):1520-7.
  • Ayoub, A. T.; Klobukowski, M.; Tuszynski. J. A. Similarity-Based Virtual Screening for Microtubule Stabilizers Reveals Novel Antimitotic Scaffold. J. Mol. Graph. Model.2013; 44:188-196