Evidence-Based Complementary and Alternative Medicine

Research Article

Study on the Multitarget Mechanism and Key Active Ingredients of Herba Siegesbeckiae and Volatile Oil against Rheumatoid Arthritis Based on Network Pharmacology

Table 3

The 2D protein-ligand interaction (hydrogen bond).
CompoundsHydrogen bond
CSF2IL-1βTNFIL-6
Overnice acidGly100 Tyr87Ser236 Arg341 Arg179—Arg182
L-α-PalmitinLys166Val348 Arg352Gly121 Tyr151Arg30 Arg179 Arg182
Methyl icosanoateLys166—Tyr151Arg182
PhytolLeu104 Thr105Arg179 Ser236 Gln283Ser60Leu178 Asp26
Heptacosane————
Hexahydrofarnesyl acetone—Arg352Tyr151Arg182