At Zewail City, I developed a machine-learning workflow to predict opioid ligand affinity toward μ- and κ-opioid receptors. It supports high-throughput compound screening, molecular docking, and structure–activity relationship analysis.
During my trainee placement at the Department of Drug and Health Sciences, University of Catania, I engaged in designing and molecularly modeling 5-fluorouracil-based mutual prodrugs targeting the heme oxygenase system. I also gained hands-on experience with synthetic chemistry workflows for early-stage anticancer drug development.
For a project on PD-L1 inhibitors, I developed an alternative synthetic pathway for a known inhibitor, proposed chemical modifications and optimized synthetic strategies, and designed a novel inhibitor supported by computational modeling.
My experience also includes designing triclosan derivatives targeting enoyl-ACP reductase and developing a computational workflow for protein–inhibitor analysis. I’ve used tools including AutoDock Vina, MOE, PyMOL, and Python libraries, alongside laboratory techniques such as chromatography and synthetic chemistry.
Singapore