Bispecific DuoBody Antibody Targeting 4-1BB on Cancer Cells and PD-L1 on T-Cells for Immunotherapy in Non-Small Cell Lung Cancer (NSCLC)

NSCLC is a disease that threatens the lives and well-being of millions of individuals worldwide, causing issues such as respiratory problems, metastatic complications, and death and all the while causing physiological changes in affected cells, such as the expression of genes related to the proliferation of 41BB production. To combat this, this paper researches the potential for developing a type of duo-body antibody revolving around bi-specific antibodies to detect and eliminate NSCLC. The research aims to use this technology to create a reliable way to extinguish NSCLC by developing duo-body anti-cancer immunotherapy. In this project, we utilized Alpha Fold, a Nobel prize-winning AI-based protein structure predictor, to accurately model the 41BB receptor on NSCLC cells and the PDL1 receptor found on antigen-presenting cells. Following molecular docking simulations - and selection criteria involving analyzing the visual accuracy of the receiver-ligand connection, binding energy analysis, and number of hydrogen bonding between an antibody and protein receptor - we selected two best-performing options from their list of possible receptors - 2xqb for 41BB and 2vxs for PDL1 receptors. To verify these selection criteria, we performed MD simulations, where we tested the performance of our selected antibodies and proteins in situations similar to those found in the real world. Through all these steps, we built a potential method for eradicating NSCLC from patients, allowing better health for future generations.