The major research focus in my lab is to apply state-of-the-art computational drug discovery tools to discover new antiviral and immune checkpoints’ small molecule drugs. Our lab specializes in understanding the nature and biophysical processes underlying protein-drug interaction, protein-protein interactions, protein-DNA interactions, drug off-target interactions and predicting drug-mediated toxicity. My laboratory has been growing and evolving into a multidisciplinary team, which comprises members with expertise in computer software design, pharmaceutics, chemistry, biophysics and computer science. We also have our own contemporary computer cluster as well as allocated resources from compute Canada and the IBM Blue Gene/Q supercomputer. In addition to the computational framework in our group, we also carry out different wet-lab experimental techniques to validate our modelling hypothesis and optimize our calculations. Our experiments are devoted to the characterization of protein-small molecules and protein-protein interactions.
My lab has managed to:
• Build innovative computer models for the immune checkpoints proteins.
• Design small molecule inhibitors for the PD-1 and CTLA-4 pathways.
• Build comprehensive models for protein ion channels and membrane proteins.
• Develope new technologies to predict protein-protein and protein-drug interactions.
• Build robust mathematical models for different immune checkpoints pathways.
• Develope novel inhibitors for the RNA polymerase NS5B of HCV.
• Develope three novel classes of inhibitors for the HCV viral protein NS5A.
• Discover the first inhibitor of the ERCC1-XPA protein-protein interaction.
• Discover inhibitors for the ERCC1-XPF protein-protein interaction.
• Discover dual inhibitors for the p53-MDM2/MDM4 protein-protein interactions.
• Identify the binding site of Laulimalide within tubulin protein.
- Dr. Tae Chul Moon, Research Associate (July 2015 - Present).
- Dr. Marawan Ahmed, Postdoctoral Fellow (June 2014 - Present)
- Dr. Aravindhan Ganesan, Postdoctoral Fellow (August 2015- Present).
- Dr. Subha Kalyaanamoorthy, Postdoctoral Fellow (June 2016- Present) - (Awardee of the prestigious NSERC postdoctoral fellowship).
- Dr. Abdo Ahmed, Postdoctoral Fellow (February 2018 - Present).
• Francesco Gentile, PhD student (January 2014 - Present) - Awardee of the prestigious Alberta Innovates Studentship.
• Yasser Tebana, PhD Student (January 2018 - Present).
• Tianhua Feng, Master Student (March 2016 - Present)
• Rui Chen, Master Student (September 2017 - Present).
• Horia Jalily, Master Student (Completed).
• Clement Viricel, Master student (Completed).
Internship & Summer Students:
• Anna Jutla, Summer Student (April 2018 – September 2018).
• Nawreen Hena, Internship Student (January 2017 – present).
• Theinmozhi Arulraj, Internship Student (May 2017 – August 2017) (Completed).
• JGyan Darshan, Internship Student (May 2017 – August 2017) (Completed).
• Min-haung chiang, Internship Student (January 2017 – May 2017) (Completed).
• Abhishek Pal, Internship Student (May 2016 – August 2016) (Completed).
• Crystal Lui, Summer Student (January 2016 – January 2017) (Completed).
• Michael.Heinzinger, Internship Student (January 2016 – March 2016) (Completed)..
• Amanda Ngo, Summer Student (May 2015 – September 2015) (Completed)..
• Jeffery Chow, Summer Student (May 2015 – September 2015) (Completed)..
• Summer Kassem. Summer student (Completed).