Figure 4.

Drug repurposing predictions targeting pain-associated GPCRs

(A) A network illustrating the interaction between the 13 pain-associated GPCR targets and the 20 FDA-approved drugs with the highest predicted activity values (Table S3). Orange lines represent agonists to the GPCR targets, and green lines indicate antagonists to the GPCR target.

(B) Four drugs were selected from the 20 FDA-approved drugs with the highest predicted activity values, and the heatmaps of attention levels on these 4 selected drugs are illustrated. A warmer color indicates a higher attention level, and a cooler color indicates a lower attention level.

(C) Putative binding structures of the molecules in (B) and their corresponding GPCR targets.