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

Table 1

The docking information of 8 targets with the corresponding compounds.

Target	HS volatile components	Score	HS compound	Score
TNF	Phytol	7.5	Vernolic acid	7.6
	Hexahydrofarnesyl acetone	7.1	3-(α,4-Dihydroxy-3-methoxybenzyl)-4-(hydroxy-3-methoxybenzyl) tetrahydrofuran	5.9
	Heptacosane	6.6	L-α-Palmitin	5.8
	Pentacosane ar-curcumene	6.2	Methyl icosanoate	5.6
	Nonanoic acid	6.2	Orientin	5.2
		5.0	β-Sitosterol	5.2
			Hederagenin	5.0
			Stigmasterol	5.0
IL1β	Phytol	7.2	Carboceric acid	10.8
	Heptacosane	6.8	L-α-Palmitin	9.4
	Pentacosane	6.4	Vernolic acid	7.9
	Hexahydrofarnesyl acetone	5.8	Methyl icosanoate	7.4
	Nonanoic acid	5.2	Henicosanol	7.2
	Nonanal	5.1	3-(α,4-Dihydroxy-3-methoxybenzyl)-4-(hydroxy-3-methoxybenzyl) tetrahydrofuran	5.6
			Darutoside	5.6
			Orientin	5.3
			Stigmasterol-β-D-glucoside	5.0
CSF2	Heptacosane	6.8	Carboceric acid	7.8
	Phytol	5.9	Methyl icosanoate	7.3
	Nonanal	5.6	Darutoside	6.9
	Nonanoic acid	5.4	Henicosanol	6.7
	Oplopenone	5.3	L-α-Palmitin	6.4
	Hexahydrofarnesyl acetone	5.2	Vernolic acid	6.3
			3-(α,4-Dihydroxy-3-methoxybenzyl)-4-(hydroxy-3-methoxybenzyl) tetrahydrofuran	5.7
			Alexandrin	5.7
			Orixine	5.6
			Chromolaevanedione	5.4
IFNG	Phytol	5.4	Vernolic acid	6.7
			L-α-Palmitin	6.6
			Orientin	5.6
			3-(α,4-Dihydroxy-3-methoxybenzyl)-4-(hydroxy-3-methoxybenzyl) tetrahydrofuran	5.2
CTLA4	Heptacosane	5.2	L-α-Palmitin	5.1
			Methyl icosanoate	5.0
			Vernolic acid	5.0
IL18	Nonanal	6.4	L-α-Palmitin	5.5
	Hexahydrofarnesyl acetone	5.1	Stigmasterol	5.4
	Phytol	5.0	Vernolic acid	5.3
	Heptacosane	5.0	Carboceric acid	5.3
			Henicosanol	5.1
CD28	Heptacosane	6.4	Ferulic acid	5.2
	Hexahydrofarnesyl acetone	6.2	Methyl icosanoate	5.0
	Phytol	5.8
	Pentacosane	5.6
IL6	Hexahydrofarnesyl acetone	6.0	Vernolic acid	7.2
	ar-Curcumene	5.8	L-α-Palmitin	6.5
	Nonanoic acid	5.6	Chromolaevanedione	5.2
	Nonanal	5.6	Ferulic acid	5.2
	Heptacosane	5.5	Orixine	5.0
	Phytol	5.3