RESEARCH

Research Experience:

Feb - Aug 2018            Postdoctoral researcher, Faculty of Pharmacy and Pharmaceutical Sciences, University of Alberta, AB, Canada.

·         Coordinator: Dr. Khaled Barakat.

·         Engaged in a project to reduce the virulence of Rhizopus oryzae, the primary causative fungus of Mucormycosis.

 

2016 - Until now          Junior Associate at the Abdus Salam International Center for Theoretical Physics, ICTP, Trieste, Italy.

·         Coordinator: Dr. Ali Hassanali.

·         Run Molecular Dynamics Simulation on Zika virus, HCV, and MERS-CoV polymerases.

·         Perform molecular docking to test anti-hepatitis C Virus drugs against Zika viral polymerase.

 

Mar – Sept 2015           Postdoctoral fellow at Biochemistry and Structural Biology Department, Center of Molecular Protein Science (CMPS), Lund University, Lund, Sweden.

·         Supervisor: Prof. Dr. Salam Al-karadaghi

·         Perform small molecule/ protein and protein / protein docking using different software (HADDOCK, glide, AUTODOCK, and SCIGRESS) on ribosomal RTA protein-peptide, HCV NS5B RdRp, and Ferrochlitase-Yfh1.

·         Run Molecular Dynamics Simulation using NAMD on ribosomal RTA.

·         Engaged in some wet-lab experiments (Purification, DLS, Separation, and crystallization) on bacterial frataxin CyaY.

 

2011-2013       Graduate student (doctoral level) at Biophysics Department, Cairo University.

Using   molecular modeling and docking techniques to compare different inhibitors of HCV polymerase from different genotypes. IDX-184 shows promising results against most of the genotypes. Genotype 4a (a prevalent subtype of HCV patient in Egypt) show the worst response to the inhibitors compared to other subtypes under study.

Research Project: Molecular modeling approach for the design and evaluation of Hepatitis C Virus inhibitors.

Principal Investigator: Prof. Dr. Wael Elshemey

Using Quantitative Structure-Activity Relationship and molecular docking to test a group of modifications to Boceprevir and Telaprevir (anti-HCV proteases approved in 2011 by FDA). Some modifications show promising results compared to parent compounds.

 

2008-2010        Graduate student (Master level) at Biophysics Department, Cairo University.

Utilizing Comparative modeling, validation, and Wide-Angel x-ray scattering simulation to test the correlation between protein secondary structure and WAXS profiles. Moderate correlation is found in all alpha and all beta proteins. This may be used to test the validity of protein structure in protein structure prediction.

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