Discovery of novel and potent P2Y 14 R antagonists via structure-based virtual screening for the treatment of acute gouty arthritis.

•A reliable Glide docking-based virtual screening (VS) pipeline for P2Y14R was developed.•Several potent P2Y14R antagonists with novel scaffolds were identified utilizing the VS strategy.•P2Y14R inhibitory effect was evaluated by testing cAMP levels in HEK293 cells.•Anti-gout activity of screened compound was detected in MSU-treated THP-1 cells.•The mechanism of test compound in treating acute gouty arthritis was elucidated.