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So far, only monoclonal antibodies are approved as PD-1\/PD-L1 inhibitors. While significant clinical outcomes are observed on patients who respond to these therapeutics, a large proportion of the patients do not benefit from the currently available immune checkpoint inhibitors, which strongly emphasize the importance of developing new immunotherapeutic agents.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Methods<\/jats:title>\n                  <jats:p>In this study, we followed a transdisciplinary approach to discover novel small molecules that can modulate PD-1\/PD-L1 interaction. To that end, we employed <jats:italic>in silico<\/jats:italic> analyses combined with <jats:italic>in vitro<\/jats:italic>, <jats:italic>ex vivo<\/jats:italic>, and <jats:italic>in vivo<\/jats:italic> experimental studies to assess the ability of novel compounds to modulate PD-1\/PD-L1 interaction and enhance T-cell function.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Results<\/jats:title>\n                  <jats:p>Accordingly, in this study we report the identification of novel small molecules, which like anti-PD-L1\/PD-1 antibodies, can stimulate human adaptive immune responses. Unlike these biological compounds, our newly-identified small molecules enabled an extensive infiltration of T lymphocytes into three-dimensional solid tumor models, and the recruitment of cytotoxic T lymphocytes to the tumor microenvironment <jats:italic>in vivo<\/jats:italic>, unveiling a unique potential to transform cancer immunotherapy.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Conclusions<\/jats:title>\n                  <jats:p>We identified a new promising family of small-molecule candidates that regulate the PD-L1\/PD-1 signaling pathway, promoting an extensive infiltration of effector CD8 T cells to the tumor microenvironment.<\/jats:p>\n               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