Evidence-Based Complementary and Alternative Medicine

Research Article

Deciphering Pharmacological Mechanism of Buyang Huanwu Decoction for Spinal Cord Injury by Network Pharmacology Approach

Table 4

Basic information of active compounds targeting hub genes in BYHWD.
Molecule IDMolecule namePubChem CIDOB (%)DL2D StructureSource databaseSourceTargeted hub genes
MOL000098Quercetin528034346.430.28TCMSPHonghua; HuangqiAKT1, CASP3, IL6, JUN, MAPK1, and VEGFA
MOL000006Luteolin528044536.160.25TCMSPHonghuaAKT1, CASP3, IL6, JUN, MAPK1, and VEGFA
MOL002773Beta-carotene528048937.180.58TCMSPHonghuaAKT1, CASP3, ALB, JUN, and VEGFA
MOL000422Kaempferol528086341.880.24TCMSPHonghua; HuangqiAKT1, CASP3, JUN, and MAPK8
MOL002714Baicalein528160533.520.21TCMSPChishao; HonghuaAKT1, CASP3, and VEGFA
MOL000358Beta-sitosterol22228436.910.75TCMSPChishao, Danggui, Honghua, and TaorenCASP3 and JUN
MOL001002Ellagic acid528185543.060.43TCMSPChishaoVEGFA
MOL001924Paeoniflorin44253453.870.79TCMSPChishaoIL6
MOL000392Formononetin528037869.670.21TCMSPHuangqiJUN
—Anisic acid7478——BATMAN-TCMDangguiTNF and TP53
—Caffeic acid dimethyl ether717531——BATMAN-TCMChuanxiongTNF
—Cibarian100275——BATMAN-TCMChuanxiongALB
—Linoleic acid5280450——BATMAN-TCMChuanxiongTNF
—O-Cresol335——BATMAN-TCMChuanxiongTNF
—O-Ethylphenol6997——BATMAN-TCMChuanxiongTNF
—Oleic acid445639——BATMAN-TCMChuanxiongTNF
—Thymol6989——BATMAN-TCMChuanxiongTNF
—1-Methyl-2-dodecyl-4-(1h)-quinolone5319601——BATMAN-TCMDangguiJUN
—4-Ethylresorcinol17927——BATMAN-TCMDangguiTNF
—Angelicin10658——BATMAN-TCMDangguiAKT1
—Carvacrol10364——BATMAN-TCMDangguiTNF
—Dihydropinosylvin442700——BATMAN-TCMDangguiTNF
—Dodecenoic acid96204——BATMAN-TCMDangguiTNF
—Ethyl-P-methoxycinnamate5281783——BATMAN-TCMDangguiTNF
—M-Cresol342——BATMAN-TCMDangguiTNF
—M-Ethylphenol12101——BATMAN-TCMDangguiTNF
—P-Cresol2879——BATMAN-TCMDangguiTNF
—P-Ethylphenol31242——BATMAN-TCMDangguiTNF
—Sebiferic acid5321206——BATMAN-TCMDangguiTNF
—Astragaloside I13996685——BATMAN-TCMHuangqiALB
—Astragaloside II13996693——BATMAN-TCMHuangqiALB
—Sucrose5988——BATMAN-TCMHuangqiTNF
—Cordycepin6303——BATMAN-TCMTaorenAKT1
OB, oral bioavailability; DL, drug-likeness.