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. 2022 Aug 24;13:893244. doi: 10.3389/fphar.2022.893244

TABLE 6.

The Glide energy information of 8 targets with 27 compounds of YZD.

IL6 APP VEGFA MPO IL1B ACE GSK3B BACE1
Citric acid −22.0 −12.7 −9.3 −29.7 −22.2 −22.3 −23.4 −21.0
Gallic acid −21.4 −22.5 −17.4 −25.3 −23.8 −18.1 −27.0 −23.0
Pseudoephedrine −20.8 −30.0 −18.8 −20.9 −24.2 −29.7 −27.3 −25.9
Ephedrine −21.5 −28.4 −18.5 −19.1 −22.7 −30.7 −27.8 −27.4
Ferulaldehyde −25.3 −26.9 −18.0 −25.0 −26.2 −32.3 −33.0 −28.3
Norephedrine −22.3 −25.5 −20.7 −21.7 −24.6 −28.4 −24.9 −24.3
Isoimperatorin −22.4 −29.8 −21.1 −23.8 −28.7 −36.3 −35.4 −30.0
Nodakenin −37.7 −46.4 −27.5 −31.6 −38.9 −46.2 −52.4 −48.8
Columbianetin −27.2 −31.0 −37.6 −31.6
Aristolactam I −22.3 −32.5 −16.9 −25.2 −28.7 −35.6 −34.1 −32.1
Ginsenoside-Re −36.2 −56.1
Ginsenoside-Rg1 −51.9 −43.2 −57.2 −49.2
Paeoniflorin −24.4 −44.7 −26.5 −35.7 −40.8 −35.5 −54.4 −46.2
Caryophyllene oxide −25.9 −22.4 −23.3 −27.5 −27.3 −25.0
Chlorogenic acid −33.0 −42.7 −34.3 −43.1 −39.3 −40.0 −48.8 −40.2
Linoleic acid −26.7 −33.2 −21.4 −27.3 −25.1 −38.6 −33.3 −35.7
Ostruthin −26.5 −37.2 −22.3 −28.3 −32.1 −42.1 −41.4 −38.9
β-asarone −18.9 −26.4 −14.9 −22.0 −22.8 −27.2 −27.3 −22.9
Albiflorin −23.1 −36.5 −15.1 −26.9 −31.6 −24.5 −39.0 −31.9
Notopterol −28.5 −39.9 −31.5 −36.9 −42.2 −42.4 −40.1
Ginsenoside-Rg3 −36.4 −39.4 −48.0 −51.5
Polygalaxanthone −66.9 −25.8 −44.9 −3.9 −53.2 −74.2 −55.3
Atractylenolide II −12.8 −26.2 −21.9 −21.6 −27.2 −27.9 −22.1
Elagic acid −24.6 −40.1 −17.3 −29.7 −34.2 −40.9 −42.2 −38.1
Ginsenoside-Rb1 −38.3 −50.2
Tenuifoli −34.0 −35.2 −24.7 −44.1
Sibiricose A3 −29.2 −58.9 −34.2 −40.5 −52.0 −52.7 −60.3 −50.7