Network Pharmacological Study of Achyranthis bidentatae Radix Effect on Bone Trauma

Table 5

Docking scores of various compounds with interleukin-6.

Ingredients	Docking score (KCAL/mol)	KI (mM)	Ref rmsd (A)	No. of H-bonds	H-bonds	Polar bonds	Docking outcome
Aregenal	-3.22	4.39	23.822	4	ARG179, ARG182, MET67, SER176	LYS66, GLU172
Astragalin	-5.21	152.88	29.147	4	ASN61, GLU93, LYS86, LYS66	PRO65, LEU64
Baicalien	-6.86	9.42	29.610	6	ASN144, PRO139, GLU95, LYS120, ARG179, ARG182	LEU148, VAL45, ALA144, GLU99
Copistine	-6.74	11.44	30.583	6	ASN63, TYR97, ASP40, LYS150, ARG179, ARG182	LEU147, THR143
Epiberberine	-6.47	18.24	22.627	2	ARG179, ARG182	LYS66, MET67, SER176, PHE74, GLU 172
Hyperin	-4.59	432.10	30.431	4	GLU99, ARG179, ARG182, PRO139	LYS120, PRO141
Kaempferol	-6.78	10.69	21.78	6	ARG179, ARG182, SER169, MET67, LYS66, SER176	PHE74
Myristic acid	-4.86	272.61	12.876	2	ARG179, ARG182	LEU178, ARG30, LEU33
Palmatine	-6.60	14.49	31.156	3	ASN61, LYS66, LYS86	GLU93, ASN63
Rutin	-5.15	166.83	27.461	5	GLU99, GLN116, ASN144, LYS120, PRO139	GLU95, LEU92, THR138, PRO144