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

Navid SobhaniDana Rae Tardiel-CyrilDafei ChaiDaniele GeneraliJian-Rong LiJonathan Vazquez-PerezJing Ming LimRachel MorrisZaniqua N BullockAram DavtyanChao ChengWilliam K DeckerYong Li

Published in: BJC reports (2024)

Several compounds inhibited tumor development prophylactically and therapeutically in syngeneic and CTLA-4-humanized mice. Our findings support using AI-based frameworks to design small molecules targeting immune checkpoints for cancer therapy.

Keyphrases

artificial intelligence
cancer therapy
machine learning
big data
drug delivery
deep learning
papillary thyroid
small molecule
squamous cell
signaling pathway
high fat diet induced
monoclonal antibody
high throughput
childhood cancer
type diabetes
wild type
single cell