Artificial intelligence-powered discovery of small molecules inhibiting CTLA-4 in cancer.

ABSTRACT:

Background/objectives

Checkpoint inhibitors, which generate durable responses in many cancer patients, have revolutionized cancer immunotherapy. However, their therapeutic efficacy is limited, and immune-related adverse events are severe, especially for monoclonal antibody treatment directed against cytotoxic T-lymphocyte-associated protein 4 (CTLA-4), which plays a pivotal role in preventing autoimmunity and fostering anticancer immunity by interacting with the B7 proteins CD80 and CD86. Small molecules impairing the CTLA-4/CD80 interaction have been developed; however, they directly target CD80, not CTLA-4.

Subjects/methods

In this study, we performed artificial intelligence (AI)-powered virtual screening of approximately ten million compounds to identify those targeting C

SUBMITTER: Sobhani N 

PROVIDER: S-EPMC10838660 | biostudies-literature | 2024

REPOSITORIES: biostudies-literature