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

Table 4

The 2D protein-ligand interaction (hydrophobic interactions).

Compounds	Hydrophobic interactions
	CSF2	IL-1β	TNF	IL-6
Overnice acid	Lys166 Ser165 Tyr172; Glu83 Ala84 Pro40; Lys103 Asp85 Lys43; Gly42 Leu104 Gly44	Trp340 Arg383 Pro343; His342 Ser339 His237; Cys285	Leu57 Leu120 Gly121; Tyr119 Tyr151 Ser60; Tyr59 Ile155	Lys66 Glu172 Phe74; Ser176 Arg179 Gln175; Leu178
L-α-Palmitin	Pro41 Lys43 Val189; Gly42 ASP85 Ser165; Tyr172 Pro40 Lys103; Lys39 Gln38 Gln39; Ala40	Arg383 His342 Met345; Glu355 Gly351 Arg341; Trp340	Tyr151 Tyr59 Leu120; Tyr119 Ser60 Glu148; Ser60 His15 Val17	Ser176 Gln175 Asp26; Leu178 Phe74
Methyl icosanoate	Ala84 Ser165 Tyr172; Pro40 Gly42 Lys43; Leu108 Pro41 Val189; Gln38 Gln39 Lys103; Asp85 Glu83	Arg383 Trp340 Gly346; Ser347 Glu355 Gln358; Ile354 Gly351 Val348; His342 Pro343 Arg341	Leu57 Ser60 Tyr119; Ser95 Gln125 Leu55; Leu120 Tyr59 Gly121; Gly122 Gln61	Leu178 Arg179 Lys171; Gln175 Arg40
Phytol	Glu83 Tyr172 Lys166; Gln38 Ser165 Pro164; Pro40 Asp85 Lys103; Ala84	Thr180 Pro343 His342; Pro177 Trp340 Ser339; Cys285 Ala284 His237; Arg341	Tyr119 Leu120 Leu57; Tyr151 Gly121 Tyr59; Gly122 Leu55 Leu157	Arg179 Gln175 Arg30; Leu33 Asp34 Arg182
Heptacosane	Gln6 Gly100 Gly101; Asp85 Gln38 Pro40; Ser165 Gln39 Gly42; Lys43 Tyr87 Lys103; Thr102 Pro8	His342 Pro343 Trp340; Arg341 Arg179 Cys285; Gln283 Ser339 Ser236; His237 Arg383 Gly346; Val348	Leu57 Leu157 Val123; Gly121 Tyr59 Tyr119; Tyr151	Arg30 Leu178 Gln175; Arg179 Phe74 Lys66; Ser176 Glu172 Leu33
Hexahydrofarnesyl acetone	Lys43 Asp85 Tyr87; Thr102 Gly101 Pro8; Gl100 Lys103 GLY42	Glu355 Val348 Gly346; His342 Trp340 Arg341; Arg383 Met345 Gly351	Gly122 Tyr59 Leu57; Ile57 Ile155 Tyr151; His15 Leu120 Tyr119	Leu178 Gln175 Ser176; Lys66 Glu172 Arg179