Table 2 Top ten targets and their source composition information
From: Therapeutic mechanism of Toujie Quwen granules in COVID-19 based on network pharmacology
No | Target | Degree | Mol ID | Molecule Name | Probabilitya | OB (%) | DL | CAS/InChIKey | pinyin name | herbal name |
|---|---|---|---|---|---|---|---|---|---|---|
1 | EGFR | 63 | MOL000098 | quercetin | 1.000 | 46.43 | 0.28 | 117–39-5 | wumei | Mume Fructus |
qinghao | Artemisia annua L. | |||||||||
qianhu | Peucedani Radix | |||||||||
lianqiao | Forsythiae Fructus | |||||||||
jinyinhua | Lonicerae Japonicae Flos | |||||||||
huangqi | Hedysarum multijugum Maxim. | |||||||||
chaihu | Radix Bupleuri | |||||||||
MOL000422 | kaempferol | 0.403 | 41.88 | 0.24 | 520–18-3 | wumei | Mume Fructus | |||
qinghao | Artemisia Annua L. | |||||||||
lianqiao | Forsythiae Fructus | |||||||||
jinyinhua | Lonicerae Japonicae Flos | |||||||||
huangqi | Hedysarum Multijugum Maxim. | |||||||||
chaihu | Radix Bupleuri | |||||||||
MOL000006 | luteolin | 0.271 | 36.16 | 0.25 | 491–70-3 | taizishen | Pseudostellariae Radix | |||
qinghao | Artemisia Annua L. | |||||||||
lianqiao | Forsythiae Fructus | |||||||||
jinyinhua | Lonicerae Japonicae Flos | |||||||||
2 | CASP3 | 54 | MOL004653 | (+)-Anomalin | 0.119 | 46.06 | 0.66 | PNTWXEIQXBRCP S-JLTIQLCOSA-N | chaihu | Radix Bupleuri |
qianhu | Peucedani Radix | |||||||||
MOL013078 | praeruptorin E | 0.119 | 51.22 | 0.66 | UFUVJROSOIXJGR -MKKZQTCBSA-N | qianhu | Peucedani Radix | |||
MOL013079 | dl-praeruptorin a | 0.116 | 46.46 | 0.53 | 73,069–25-7 | qianhu | Peucedani Radix | |||
3 | STAT3 | 46 | MOL003036 | Stigmasterol Glucoside | 0.181 | 43.83 | 0.76 | 19,716–26-8 | jinyinhua | Lonicerae Japonicae Flos |
MOL002897 | epiberberine | 0.097 | 43.09 | 0.78 | XXMJRBRPNZVNJ R-UHFFFAOYSA-N | huangqin | Scutellariae Radix | |||
4 | ESR1 | 42 | MOL001040 | (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one | 0.568 | 42.36 | 0.21 | 480–41-1 | wumei | Mume Fructus |
MOL000006 | luteolin | 0.394 | 36.16 | 0.25 | 491–70-3 | taizishen | Pseudostellariae Radix | |||
qinghao | Artemisia Annua L. | |||||||||
lianqiao | Forsythiae Fructus | |||||||||
jinyinhua | Lonicerae Japonicae Flos | |||||||||
MOL000449 | Stigmasterol | 0.389 | 43.83 | 0.76 | 83–48-7 | shancigu | Pseudobulbus Cremastrae Seu Pleiones | |||
jinyinhua | Lonicerae Japonicae Flos | |||||||||
huangqin | Scutellariae Radix | |||||||||
chaihu | Radix Bupleuri | |||||||||
qinghao | Artemisia Annua L. | |||||||||
wumei | Mume Fructus | |||||||||
5 | FPR2 | 34 | MOL013098 | [(9R)-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-9-yl](Z)-2-methylbut-2-enoate | 0.105 | 87.48 | 0.37 | 19,427–82-8 | qianhu | Peucedani Radix |
6 | F2 | 34 | MOL000371 | 3,9-di-Omethylnissolin | 0.102 | 53.74 | 0.48 | RFFNFQZKHNKOP O-BBRMVZONSAN | huangqi | Hedysarum Multijugum Maxim. |
7 | BCL2L1 | 34 | MOL001749 | ZINC03860434 | 0.116 | 43.59 | 0.35 | BJQHLKABXJIVA M-WOJBJXKFSA-N | chuanbeimu | Fritiliariae Irrhosae Bulbus |
MOL001490 | bis[(2S)-2-ethylhexyl] benzene-1,2-dicarboxylate | 0.116 | 43.59 | 0.35 | 117–81-7 | huangqin | Scutellariae Radix | |||
MOL013103 | Umbelliprenin | 0.113 | 46.57 | 0.44 | 532–16-1 | qianhu | Peucedani Radix | |||
8 | BDKRB2 | 31 | MOL013098 | [(9R)-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-9-yl](Z)-2-methylbut-2-enoate | 0.105 | 87.48 | 0.37 | 19,427–82-8 | qianhu | Peucedani Radix |
MOL000371 | 3,9-di-Omethylnissolin | 0.102 | 53.74 | 0.48 | RFFNFQZKHNKOP O-BBRMVZONSAN | huangqi | Hedysarum Multijugum Maxim. | |||
MOL000398 | isoflavanone | 0.049 | 109.99 | 0.3 | JNSVNRWHSLLCB G-LLVKDONJSA-N | huangqi | Hedysarum Multijugum Maxim. | |||
9 | MPO | 31 | MOL000098 | quercetin | 1.000 | 46.43 | 0.28 | 117–39-5 | wumei | Mume Fructus |
qinghao | Artemisia Annua L. | |||||||||
qianhu | Peucedani Radix | |||||||||
lianqiao | Forsythiae Fructus | |||||||||
jinyinhua | Lonicerae Japonicae Flos | |||||||||
huangqi | Hedysarum Multijugum Maxim. | |||||||||
chaihu | Radix Bupleuri | |||||||||
MOL000422 | kaempferol | 0.394 | 41.88 | 0.24 | 520–18-3 | wumei | Mume Fructus | |||
qinghao | Artemisia Annua L. | |||||||||
lianqiao | Forsythiae Fructus | |||||||||
jinyinhua | Lonicerae Japonicae Flos | |||||||||
huangqi | Hedysarum Multijugum Maxim. | |||||||||
chaihu | Radix Bupleuri | |||||||||
MOL000006 | luteolin | 0.271 | 36.16 | 0.25 | 491–70-3 | taizishen | Pseudostellariae Radix | |||
qinghao | Artemisia Annua L. | |||||||||
lianqiao | Forsythiae Fructus | |||||||||
jinyinhua | Lonicerae Japonicae Flos | |||||||||
10 | ACE | 30 | MOL000273 | (2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1Hcyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid | 0.120 | 30.93 | 0.81 | XSLKAKROJKMHI T-WIUKAADNSAN | fuling | Poria Cocos(Schw.) Wolf. |
MOL002308 | Indicaxanthin | 0.112 | 31.79 | 0.22 | KYJMYFJJUHZAH X-QOBSUCFJSA-N | daqingye | Isatidis Folium | |||
MOL000280 | (2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1Hcyclopenta[a]phenanthren-17-yl]-5-isopropyl-hex-5-enoic acid | 0.111 | 31.07 | 0.82 | 6754-16-1 | fuling | Poria Cocos(Schw.) Wolf. |