Evidence-Based Complementary and Alternative Medicine / 2022 / Article / Tab 4 / 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.
Drug Molecule name MolID Affinity (kcal/mol) HSF1 RELA Niuxi Inophyllum E MOL003847 −7.1 −7.3 Niuxi Coptisine MOL001458 −7.0 −7.4 Huangqi Isorhamnetin MOL000354 −6.8 −7.5 Niuxi Baicalin MOL002776 −6.8 −7.4 Sanqi Ginsenoside rh2 MOL005344 −6.7 −6.7 Niuxi Berberine MOL001454 −6.6 −6.6 Huangqi Hederagenin MOL000296 −6.4 −7.1 Niuxi Ecdysterone MOL012542 −6.4 −6.7 Niuxi Wogonin MOL000173 −6.3 −6.5 Niuxi Baicalein MOL002714 −6.3 −6.6 Kunbu Eckol MOL010616 −6.3 −7.6 Huangqi Jaranol MOL000239 −6.2 −6.6 Niuxi Epiberberine MOL002897 −6.2 −6.2 Danggui Stigmasterol MOL000449 −6.2 −7.1 Huangqi Quercetin MOL000098 −6.1 −6.7 Niuxi Poriferasta MOL001006 −6.1 −6.6 Huangqi Mairin MOL000211 −6.0 −7.2 Kunbu Fucosterol MOL009622 −6.0 −6.9 Huangqi 7-O-Methylisomucronulatol MOL000378 −5.9 −6.6 Huangqi Formononetin MOL000392 −5.9 −6.6 Huangqi Calycosin MOL000417 −5.9 −6.7 Niuxi Beta-sitosterol MOL000358 −5.9 −6.8 Kunbu 24-Methylenecholesterol MOL010625 −5.9 −7.0 Sanqi Diop MOL002879 −5.9 −6.9 Kunbu Saringosterol MOL010615 −5.7 −6.9 Sanqi DFV MOL001792 −5.7 −6.0 Huangqi Bifendate MOL000387 −5.5 −6.0 Huangqi FA MOL000433 −5.4 −5.3 Huangqi Kaempferol MOL000422 −5.3 −6.8 Sanqi Mandenol MOL001494 −4.9 −4.5 Kunbu 1553-41-9 MOL010617 −4.0 −4.1