Journal: Nature Communications

Article Title: Ultra-large virtual screening unveils potent agonists of the neuromodulatory orphan receptor GPR139

doi: 10.1038/s41467-025-66845-y

Figure Lengend Snippet: a , b Structure of core scaffold (R = aromatic ring) explored in optimization and representative analogs of compound 1 with EC 50 values from the Ca 2+ mobilization assay. The blue and green areas in ( a ) show analogs based on six-membered and five-membered ring substituents, respectively. c The reference GPR139 agonists Lundbeck Cmp 1a, JNJ-63533054, TAK-041 , and compound 1.1 were evaluated for their ability to stimulate intracellular Ca 2+ mobilization and IP 1 accumulation. Data represent mean ± SEM of at least three independent experiments performed in triplicates and are normalized to buffer (0%) and 10 µM of the control ( Lundbeck Cmp 1a , 100%). d Chemical structures comparison of the reference agonists and compound 1.1 .

Article Snippet: Data represent mean ± SEM of at least three independent experiments performed in triplicates and are normalized to buffer (0%) and 10 μM of the control ( Lundbeck Cmp 1a , 100%). d Chemical structures comparison of the reference agonists and compound 1.1 .

Techniques: Control, Comparison