Fig. 5

The docking results of selected compounds in GGQLD with HDAC3, NLRP3, RORA and REV-ERBα. A The structure of the compound Kanzonol B, Glepidotin A, Stigmasterol and Euchrenone. B, E, H, and K represent compound Kanzonol B, Glepidotin A, Stigmasterol and Euchrenone bound to active sites of HDAC3, NLRP3, RORA and REV-ERBα, respectively. C, F, I, and L represent the interactions between Kanzonol B, Glepidotin A, Stigmasterol and Euchrenone and HDAC3, NLRP3, RORA and REV-ERBα, respectively. D, G, J, and M represent2D ligand interactions diagram of Kanzonol B, Glepidotin A, Stigmasterol and Euchrenone bound to HDAC3, NLRP3, RORA and REV-ERBα, respectively. HDAC3, NLRP3, RORA and REV-ERBα are displayed as green, blue, light gray and light orange, respectively. Compound Kanzonol B, Glepidotin A, Stigmasterol and Euchrenone are shown as magenta, yellow, blue and green sticks. The π−π stacked interactions are displayed with magenta dashes. The π−alkyl and alkyl interactions are displayed with light pink dashes. The π−sigma interactions are displayed with purple dashes. The hydrogen bonds are shown as green dashes and zinc coordination are displayed with gray dashes