Network Pharmacology Approach Reveals the Potential Immune Function Activation and Tumor Cell Apoptosis Promotion of Xia Qi Decoction in Lung Cancer
Abstract
:1. Introduction
2. Materials and Methods
2.1. Collection of XQD Chemical Ingredients
2.2. Target Selection and Herb-Ingredient-Target Network Construction of XQD
2.3. Collection of Therapeutic Targets for LC
2.4. Protein-Protein Interaction Data
2.5. Herb-Ingredient-LC Therapeutic Target Network Analysis
2.6. Pathway Enrichment Analysis
2.7. Relationship Analysis Between LC Targets and Immunological Targets Affected by XQD
3. Results
3.1. OB Prediction and DL Calculation
3.2. Target Selection and Herb-Ingredient-Target Network Construction of XQD
3.3. Construction of PPI Network in XQD
3.4. Constructing the Network of Herb-Ingredient-Target-LC Therapeutic Target
3.5. Pathway Analysis of XQD Acting on LC Therapeutic Targets
3.6. Constructing Target-Immune Tissues and Cell Network
4. Discussion
5. Conclusions
Author Contributions
Funding
Conflicts of Interest
References
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ID | MOL ID | Molecule Name | OB/% | DL | Herb |
---|---|---|---|---|---|
ID001 | MOL000359 | sitosterol | 36.91 | 0.75 | CR, PR, FR, AC |
ID002 | MOL004328 | naringenin | 59.29 | 0.21 | CR, LO |
ID003 | MOL005100 | 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one | 47.74 | 0.27 | CR |
ID004 | MOL005815 | Citromitin | 86.9 | 0.51 | CR |
ID005 | MOL005828 | nobiletin | 61.67 | 0.52 | CR |
ID006 | MOL001755 | 24-Ethylcholest-4-en-3-one | 36.08 | 0.76 | AT |
ID007 | MOL002670 | Cavidine | 35.64 | 0.81 | AT |
ID008 | MOL002714 | baicalein | 33.52 | 0.21 | AT |
ID009 | MOL002776 | Baicalin | 40.12 | 0.75 | AT |
ID010 | MOL000358 | beta-sitosterol | 36.91 | 0.75 | AT, FR, PR |
ID011 | MOL000449 | Stigmasterol | 43.83 | 0.76 | AT, AC |
ID012 | MOL005030 | gondoic acid | 30.7 | 0.2 | AT, AC |
ID013 | MOL000519 | coniferin | 31.11 | 0.32 | AT |
ID014 | MOL006936 | 10,13-eicosadienoic | 39.99 | 0.2 | AT |
ID015 | MOL006937 | 12,13-epoxy-9-hydroxynonadeca-7,10-dienoic acid | 42.15 | 0.24 | AT |
ID016 | MOL006957 | (3S,6S)-3-(benzyl)-6-(4-hydroxybenzyl)piperazine-2,5-quinone | 46.89 | 0.27 | AT |
ID017 | MOL003578 | Cycloartenol | 38.69 | 0.78 | AT |
ID018 | MOL006967 | beta-D-Ribofuranoside, xanthine-9 | 44.72 | 0.21 | AT |
ID019 | MOL001910 | 11alpha,12alpha-epoxy-3beta-23-dihydroxy-30-norolean-20-en-28,12beta-olide | 64.77 | 0.38 | PR |
ID020 | MOL001918 | paeoniflorgenone | 87.59 | 0.37 | PR |
ID021 | MOL001919 | (3S,5R,8R,9R,10S,14S)-3,17-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-15,16-dione | 43.56 | 0.53 | PR |
ID022 | MOL001921 | Lactiflorin | 49.12 | 0.8 | PR |
ID023 | MOL001924 | paeoniflorin | 53.87 | 0.79 | PR |
ID024 | MOL001925 | paeoniflorin_qt | 68.18 | 0.4 | PR |
ID025 | MOL001928 | albiflorin_qt | 66.64 | 0.33 | PR |
ID026 | MOL001930 | benzoyl paeoniflorin | 31.27 | 0.75 | PR |
ID027 | MOL000211 | Mairin | 55.38 | 0.78 | PR, LO, AC |
ID028 | MOL000422 | kaempferol | 41.88 | 0.24 | PR |
ID029 | MOL000492 | (+)-catechin | 54.83 | 0.24 | PR, AC |
ID030 | MOL004624 | Longikaurin A | 47.72 | 0.53 | SC |
ID031 | MOL005317 | Deoxyharringtonine | 39.27 | 0.81 | SC |
ID032 | MOL008956 | Angeloylgomisin O | 31.97 | 0.85 | SC |
ID033 | MOL008957 | Schizandrer B | 30.71 | 0.83 | SC |
ID034 | MOL008968 | Gomisin-A | 30.69 | 0.78 | SC |
ID035 | MOL008974 | Gomisin G | 32.68 | 0.83 | SC |
ID036 | MOL008978 | Gomisin R | 34.84 | 0.86 | SC |
ID037 | MOL008992 | Wuweizisu C | 46.27 | 0.84 | SC |
ID038 | MOL001749 | ZINC03860434 | 43.59 | 0.35 | FR |
ID039 | MOL004440 | Peimisine | 57.4 | 0.81 | FR |
ID040 | MOL009027 | Cyclopamine | 55.42 | 0.82 | FR |
ID041 | MOL009572 | Chuanbeinone | 41.07 | 0.71 | FR |
ID042 | MOL009579 | ent-(16S)-atisan-13,17-oxide | 47.74 | 0.43 | FR |
ID043 | MOL009586 | isoverticine | 48.23 | 0.67 | FR |
ID044 | MOL009588 | Korseveriline | 35.16 | 0.68 | FR |
ID045 | MOL009589 | Korseverinine | 53.51 | 0.71 | FR |
ID046 | MOL009593 | verticinone | 60.07 | 0.67 | FR |
ID047 | MOL009596 | sinpemine A | 46.96 | 0.71 | FR |
ID048 | MOL009599 | songbeinone | 45.35 | 0.71 | FR |
ID049 | MOL010921 | estrone | 53.56 | 0.32 | AC |
ID050 | MOL010922 | Diisooctyl succinate | 31.62 | 0.23 | AC |
ID051 | MOL002211 | 11,14-eicosadienoic acid | 39.99 | 0.2 | AC |
ID052 | MOL002372 | (6Z,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene | 33.55 | 0.42 | AC |
ID053 | MOL000953 | CLR | 37.87 | 0.68 | AC |
ID054 | MOL002311 | Glycyrol | 90.78 | 0.67 | AC, LO |
ID055 | MOL003410 | Ziziphin_qt | 66.95 | 0.62 | AC |
ID056 | MOL004355 | Spinasterol | 42.98 | 0.76 | AC |
ID057 | MOL004841 | Licochalcone B | 76.76 | 0.19 | AC, LO |
ID058 | MOL004903 | liquiritin | 65.69 | 0.74 | AC, LO |
ID059 | MOL004908 | Glabridin | 53.25 | 0.47 | AC, LO |
ID060 | MOL005017 | Phaseol | 78.77 | 0.58 | AC, LO |
ID061 | MOL007207 | Machiline | 79.64 | 0.24 | AC |
ID062 | MOL012922 | l-SPD | 87.35 | 0.54 | AC |
ID063 | 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-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid | 30.93 | 0.81 | PC |
ID064 | MOL000275 | trametenolic acid | 38.71 | 0.8 | PC |
ID065 | MOL000276 | 7,9(11)-dehydropachymic acid | 35.11 | 0.81 | PC |
ID066 | MOL000279 | Cerevisterol | 37.96 | 0.77 | PC |
ID067 | 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-1H-cyclopenta[a]phenanthren-17-yl]-5-isopropyl-hex-5-enoic acid | 31.07 | 0.82 | PC |
ID068 | MOL000282 | ergosta-7,22E-dien-3beta-ol | 43.51 | 0.72 | PC |
ID069 | MOL000283 | Ergosterol peroxide | 40.36 | 0.81 | PC |
ID070 | MOL000285 | (2R)-2-[(5R,10S,13R,14R,16R,17R)-16-hydroxy-3-keto-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-5-isopropyl-hex-5-enoic acid | 38.26 | 0.82 | PC |
ID071 | MOL000287 | 3beta-Hydroxy-24-methylene-8-lanostene-21-oic acid | 38.7 | 0.81 | PC |
ID072 | MOL000289 | pachymic acid | 33.63 | 0.81 | PC |
ID073 | MOL000290 | Poricoic acid A | 30.61 | 0.76 | PC |
ID074 | MOL000291 | Poricoic acid B | 30.52 | 0.75 | PC |
ID075 | MOL000292 | poricoic acid C | 38.15 | 0.75 | PC |
ID076 | MOL000296 | hederagenin | 36.91 | 0.75 | PC |
ID077 | MOL000300 | dehydroeburicoic acid | 44.17 | 0.83 | PC |
ID078 | MOL005020 | dehydroglyasperins C | 53.82 | 0.37 | LO |
ID079 | MOL005018 | Xambioona | 54.85 | 0.87 | LO |
ID080 | MOL005012 | Licoagroisoflavone | 57.28 | 0.49 | LO |
ID081 | MOL005007 | Glyasperins M | 72.67 | 0.59 | LO |
ID082 | MOL005003 | Licoagrocarpin | 58.81 | 0.58 | LO |
ID083 | MOL005001 | Gancaonin H | 50.1 | 0.78 | LO |
ID084 | MOL005000 | Gancaonin G | 60.44 | 0.39 | LO |
ID085 | MOL004993 | 8-prenylated eriodictyol | 53.79 | 0.4 | LO |
ID086 | MOL004990 | 7,2′,4′-trihydroxy-5-methoxy-3-arylcoumarin | 83.71 | 0.27 | LO |
ID087 | MOL004959 | 1-Methoxyphaseollidin | 69.98 | 0.64 | LO |
ID088 | MOL004941 | (2R)-7-hydroxy-2-(4-hydroxyphenyl)chroman-4-one | 71.12 | 0.18 | LO |
ID089 | MOL004914 | 1,3-dihydroxy-8,9-dimethoxy-6-benzofurano[3,2-c]chromenone | 62.9 | 0.53 | LO |
ID090 | MOL004912 | Glabrone | 52.51 | 0.5 | LO |
ID091 | MOL004910 | Glabranin | 52.9 | 0.31 | LO |
ID092 | MOL004907 | Glyzaglabrin | 61.07 | 0.35 | LO |
ID093 | MOL004904 | licopyranocoumarin | 80.36 | 0.65 | LO |
ID094 | MOL004891 | shinpterocarpin | 80.3 | 0.73 | LO |
ID095 | MOL004885 | licoisoflavanone | 52.47 | 0.54 | LO |
ID096 | MOL004879 | Glycyrin | 52.61 | 0.47 | LO |
ID097 | MOL004863 | 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromone | 66.37 | 0.41 | LO |
ID098 | MOL004856 | Gancaonin A | 51.08 | 0.4 | LO |
ID099 | MOL004855 | Licoricone | 63.58 | 0.47 | LO |
ID100 | MOL004849 | 3-(2,4-dihydroxyphenyl)-8-(1,1-dimethylprop-2-enyl)-7-hydroxy-5-methoxy-coumarin | 59.62 | 0.43 | LO |
ID101 | MOL004838 | 8-(6-hydroxy-2-benzofuranyl)-2,2-dimethyl-5-chromenol | 58.44 | 0.38 | LO |
ID102 | MOL004835 | Glypallichalcone | 61.6 | 0.19 | LO |
ID103 | MOL004829 | Glepidotin B | 64.46 | 0.34 | LO |
ID104 | MOL004824 | (2S)-6-(2,4-dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one | 60.25 | 0.63 | LO |
ID105 | MOL004820 | kanzonols W | 50.48 | 0.52 | LO |
ID106 | MOL004810 | glyasperin F | 75.84 | 0.54 | LO |
ID107 | MOL004808 | glyasperin B | 65.22 | 0.44 | LO |
ID108 | MOL003656 | Lupiwighteone | 51.64 | 0.37 | LO |
ID109 | MOL001484 | Inermine | 75.18 | 0.54 | LO |
ID110 | MOL000500 | Vestitol | 74.66 | 0.21 | LO |
ID111 | MOL000392 | formononetin | 69.67 | 0.21 | LO |
ID112 | MOL000239 | Jaranol | 50.83 | 0.29 | LO |
Herb | MOL Name | MOL ID | Degree |
---|---|---|---|
FR PR AT | Beta-sitosterol | MOL000358 | 49 |
PR | Kaempferol | MOL000422 | 44 |
AC | L-SPD | MOL012922 | 44 |
AT | Cavidine | MOL002670 | 43 |
AC AT | Stigmasterol | MOL000449 | 39 |
AC | Estrone | MOL010921 | 34 |
AC | Machiline | MOL007207 | 32 |
LO | Shinpterocarpin | MOL004891 | 30 |
LO | Formononetin | MOL000392 | 30 |
LO | Naringenin | MOL004328 | 29 |
LO CR | 1-Methoxyphaseollidin | MOL004959 | 28 |
LO | Licoagrocarpin | MOL005003 | 28 |
Target ID | Gene Name | Protein Name | Degree |
---|---|---|---|
P10275 | AR | Androgen receptor | 83 |
P03372 | ESR1 | Estrogen receptor | 74 |
P00918 | CA2 | Carbonic anhydrase 2 | 60 |
P37231 | PPARG | Peroxisome proliferator-activated receptor gamma | 56 |
P35354 | PTGS2 | Prostaglandin G/H synthase 2 | 56 |
P35228 | NOS2 | Nitric oxide synthase, inducible | 53 |
P00734 | F2 | Prothrombin | 49 |
P27487 | DPP4 | Dipeptidyl peptidase 4 | 49 |
Q92731 | ESR2 | Estrogen receptor beta | 47 |
Q07785 | CRK2 | Cell division control protein 2 homolog | 45 |
P49841 | GSK3B | Glycogen synthase kinase-3 beta | 46 |
O14757 | CHEK1 | Serine/threonine-protein kinase Chk1 | 45 |
P18031 | PTPN1 | Tyrosine-protein phosphatase non-receptor type 1 | 43 |
Q16539 | MAPK14 | Mitogen-activated protein kinase 14 | 39 |
P07900 | HSP90AA1 | Heat shock protein HSP 90-alpha | 38 |
P08238 | HSP90AB1 | Heat shock protein HSP 90-beta | 37 |
P23219 | PTGS1 | Prostaglandin G/H synthase 1 | 32 |
P00742 | F10 | Coagulation factor X | 31 |
Q14524 | SCN5A | Sodium channel protein type 5 subunit alpha | 30 |
Herb | MOL ID | MOL Name | Degree |
---|---|---|---|
FR PR AT | MOL000358 | Beta-sitosterol | 17 |
PR | MOL000422 | Kaempferol | 14 |
AT | MOL002670 | Cavidine | 13 |
CR LO | MOL004328 | Naringenin | 12 |
LO | MOL000392 | Formononetin | 11 |
AC | MOL012922 | l-SPD | 11 |
AT | MOL002714 | Baicalein | 10 |
AT AC | MOL000449 | Stigmasterol | 10 |
LO | MOL005003 | Licoagrocarpin | 10 |
LO | MOL004959 | 1-Methoxyphaseollidin | 10 |
LO AC | MOL004908 | Glabridin | 10 |
LO | MOL004891 | Shinpterocarpin | 10 |
AC | MOL004841 | Licochalcone B | 10 |
LO | MOL001484 | Inermine | 10 |
AC | MOL010921 | Estrone | 10 |
AC PR | MOL000492 | (+)-catechin | 9 |
CR | MOL005828 | Nobiletin | 9 |
LO AC | MOL005017 | Phaseol | 9 |
LO | MOL005000 | Gancaonin G | 9 |
LO | MOL004941 | (2R)-7-hydroxy-2-(4-Hydroxyphenyl)chroman-4-one | 9 |
LO | MOL004849 | 3-(2,4-dihydroxyphenyl)-8-(1,1-Dimethylprop-2-enyl)-7-hydroxy-5-methoxy-coumarin | 9 |
LO | MOL004835 | Glypallichalcone | 9 |
LO | MOL004829 | Glepidotin B | 9 |
LO | MOL004824 | (2S)-6-(2,4-dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one | 9 |
AC | MOL007207 | Machiline | 9 |
Types of Action | Degree | Uniprot ID | Gene Name |
---|---|---|---|
Direct action | 75 | P03372 | ESR1 |
Direct action | 45 | O14757 | CHEK1 |
Direct action | 40 | Q16539 | MAPK14 |
Direct action | 28 | P07550 | ADRB2 |
Direct action | 16 | P29474 | NOS3 |
Direct action | 14 | P35968 | KDR |
Direct action | 11 | P35372 | OPRM1 |
Direct action | 6 | P10415 | BCL2 |
Direct action | 3 | P08588 | ADRB1 |
Direct action | 1 | P27169 | PON1 |
Direct action | 1 | P14416 | DRD2 |
Direct action | 1 | P05164 | MPO |
Direct action | 1 | P03956 | MMP1 |
Direct action | 1 | P01130 | LDLR |
Types of Action | Degree | Uniprot ID | Gene Name |
---|---|---|---|
Indirect action | 5 | P60568 | IL2 |
Indirect action | 5 | O14746 | TERT |
Indirect action | 4 | Q9UJU2 | LEF1 |
Indirect action | 3 | Q03468 | ERCC6 |
Indirect action | 3 | P69905 | HBA2 |
Indirect action | 2 | P62736 | ACTA2 |
Indirect action | 2 | P16473 | TSHR |
Indirect action | 2 | P04035 | HMGCR |
Indirect action | 2 | P02741 | CRP |
Indirect action | 1 | Q9UBP4 | DKK3 |
Indirect action | 1 | Q9H3N8 | HRH4 |
Indirect action | 1 | Q9H3D4 | TP63 |
Indirect action | 1 | Q14790 | CASP8 |
Indirect action | 1 | Q12988 | HSPB3 |
Indirect action | 1 | P84022 | SMAD3 |
Indirect action | 1 | P57071 | PRDM15 |
Indirect action | 1 | P42345 | MTOR |
Indirect action | 1 | P35568 | IRS1 |
Indirect action | 1 | P30874 | SSTR2 |
Indirect action | 1 | P25391 | LAMA1 |
Indirect action | 1 | P18074 | ERCC2 |
Indirect action | 1 | P08183 | ABCB1 |
Indirect action | 1 | P05556 | ITGB1 |
Indirect action | 1 | P04626 | ERBB2 |
Indirect action | 1 | P01889 | HLA-B |
Indirect action | 1 | P00519 | ABL1 |
Indirect action | 1 | O60469 | DSCAM |
Name | HLA-B | CASP8 | MAPK14 | SMAD3 | ACTA2 | ADRB2 | BCL2 | LEF1 |
---|---|---|---|---|---|---|---|---|
Bone Marrow | 268 | 6 | 5 | 4 | 8 | 10 | 5 | 4 |
Whole Blood | 689 | 12 | 13 | 4 | 9 | 25 | 6 | 9 |
Lymph Node | 316 | 8 | 3 | 4 | 23 | 3 | 6 | 8 |
Thymus | 229 | 6 | 3 | 4 | 17 | 2 | 4 | 35 |
Tonsil | 302 | 6 | 3 | 4 | 11 | 3 | 5 | 6 |
Myeloid | 630 | 11 | 21 | 5 | 9 | 22 | 6 | 4 |
Monocytes | 577 | 9 | 13 | 5 | 8 | 9 | 5 | 4 |
Dentritic Cells | 558 | 8 | 10 | 6 | 6 | 6 | 5 | 4 |
NK cells | 716 | 13 | 10 | 5 | 8 | 41 | 7 | 5 |
T Cells(CD+4) | 514 | 16 | 7 | 7 | 6 | 5 | 11 | 30 |
T Cells(CD+8) | 512 | 15 | 7 | 5 | 7 | 14 | 8 | 27 |
B-Lymphoblasts | 410 | 7 | 8 | 5 | 12 | 3 | 9 | 4 |
B Cells | 411 | 8 | 5 | 8 | 7 | 3 | 11 | 4 |
Endothelial | 154 | 6 | 5 | 4 | 5 | 3 | 6 | 4 |
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Share and Cite
Zhang, S.; Wang, Y. Network Pharmacology Approach Reveals the Potential Immune Function Activation and Tumor Cell Apoptosis Promotion of Xia Qi Decoction in Lung Cancer. Med. Sci. 2020, 8, 1. https://doi.org/10.3390/medsci8010001
Zhang S, Wang Y. Network Pharmacology Approach Reveals the Potential Immune Function Activation and Tumor Cell Apoptosis Promotion of Xia Qi Decoction in Lung Cancer. Medical Sciences. 2020; 8(1):1. https://doi.org/10.3390/medsci8010001
Chicago/Turabian StyleZhang, Song, and Yun Wang. 2020. "Network Pharmacology Approach Reveals the Potential Immune Function Activation and Tumor Cell Apoptosis Promotion of Xia Qi Decoction in Lung Cancer" Medical Sciences 8, no. 1: 1. https://doi.org/10.3390/medsci8010001