Research Article

Exploring the Mechanism of Astragalus propinquus Schischkin and Panax Notoginseng (A&P) Compounds in the Treatment of Renal Fibrosis and Chronic Kidney Disease Based on Integrated Network Analysis

Table 4

Molecular docking of A&P’s potential ingredients and core genes.

DrugMolecule nameMolIDAffinity (kcal/mol)
HSF1RELA

NiuxiInophyllum EMOL003847−7.1−7.3
NiuxiCoptisineMOL001458−7.0−7.4
HuangqiIsorhamnetinMOL000354−6.8−7.5
NiuxiBaicalinMOL002776−6.8−7.4
SanqiGinsenoside rh2MOL005344−6.7−6.7
NiuxiBerberineMOL001454−6.6−6.6
HuangqiHederageninMOL000296−6.4−7.1
NiuxiEcdysteroneMOL012542−6.4−6.7
NiuxiWogoninMOL000173−6.3−6.5
NiuxiBaicaleinMOL002714−6.3−6.6
KunbuEckolMOL010616−6.3−7.6
HuangqiJaranolMOL000239−6.2−6.6
NiuxiEpiberberineMOL002897−6.2−6.2
DangguiStigmasterolMOL000449−6.2−7.1
HuangqiQuercetinMOL000098−6.1−6.7
NiuxiPoriferastaMOL001006−6.1−6.6
HuangqiMairinMOL000211−6.0−7.2
KunbuFucosterolMOL009622−6.0−6.9
Huangqi7-O-MethylisomucronulatolMOL000378−5.9−6.6
HuangqiFormononetinMOL000392−5.9−6.6
HuangqiCalycosinMOL000417−5.9−6.7
NiuxiBeta-sitosterolMOL000358−5.9−6.8
Kunbu24-MethylenecholesterolMOL010625−5.9−7.0
SanqiDiopMOL002879−5.9−6.9
KunbuSaringosterolMOL010615−5.7−6.9
SanqiDFVMOL001792−5.7−6.0
HuangqiBifendateMOL000387−5.5−6.0
HuangqiFAMOL000433−5.4−5.3
HuangqiKaempferolMOL000422−5.3−6.8
SanqiMandenolMOL001494−4.9−4.5
Kunbu1553-41-9MOL010617−4.0−4.1