Network Pharmacology-Based Analysis of the Underlying Mechanism of Hyssopus cuspidatus Boriss. for Antiasthma: A Characteristic Medicinal Material in Xinjiang

Table 3

Binding affinity of the compounds and key targets by molecular docking.

No.	Compound	Molecular structure	Target	PDB ID	Affinity (kcal/mol)	Polar contact	Center (X, Y, Z)
1	Budesonide		AKT1	3CQW	−9.5	ARG-4	2.68
						LYS-179	−0.87
						Thr-195	26.01
2	Luteolin		MMP9	2OW0	−10.5	LEU-188
						ALA-189	46.89
						GLN-402	12.14
						TYR-420	49.07
						MET-422
3	Quercetin		MMP9	2OW0	−10.5	LEU-188	46.89
						ALA-189	12.14
						GLN-402	49.07
4	Beta-sitosterol		TNF	1TNF	−9.5	LEU-418	19.97
						LYS-98	49.68
						GLU-116	39.93
5	Acacetin		MMP9	2OW0	−10.2	ALA-189	46.89
						GLN-402	12.14
						LEU-188	49.07