Computational discovery of small drug-like compounds as potential inhibitors of PD-1/PD-L1 interactions.

The rogrammed cell eath igand rotein 1 (PD-L1) is a strong immunosuppressive molecule that inactivates tumor-specific T cells by binding to the rogrammed cell eath- 1 protein (PD-1). Cancer immunotherapy based on the monoclonal antibodies targeting the PD-1/PD-L1 pathway has demonstrated therapeutic responses without precedent over a wide range of cancers. However, the antibody-based immunotherapies have several limitations such as high production cost or the induction of severe immune-related adverse effects.