In Silico Study of γδ TCR+ CAR T-Cell Binding to PSCA and CD23 in Metastatic Prostate Cancer

Chimeric Antigen Receptor (CAR) T-cell therapy has arisen as a revolutionizing method in treating numerous cancers. T-cell receptors have five components. γδ T-cell receptors (γδ TCRs) are a unique subset of T-cell receptors that recognize antigens in a manner distinct from the more common αβ T-cell receptors. Recently, γδ T-cell receptors have been developed as a treatment strategy against metastatic castration-resistant prostate cancer. We hypothesize that γδ T-cells will demonstrate strong and stable in silico binding interactions with the Prostate Stem Cell Antigen (PSCA). This study explores the understanding of CAR T-cells containing γδ T-cell receptors binding to the PSCA in prostate cancer. Therefore, we have performed molecular docking simulations to understand their binding mechanism. The computational analysis revealed strong and stable interactions between the γδ TCR and PSCA. The results were validated by predicting the druggable site on the receptors using the P2Rank web server. The current research will aid in enhancing the efficacy of CAR T-cell therapy in treating metastatic castration-resistant prostate cancer by leveraging γδ T-cell receptors.