Prediction of the Medicinal Mechanisms of Pinellia ternata Breitenbach, a Traditional Medicine for Gastrointestinal Motility Disorders, through Network Pharmacology
Abstract
:1. Introduction
2. Results
2.1. Information for 366 Targets Derived through Correlation Investigation between Compounds and Targets
2.2. Twenty Active Compounds Met the Criteria for ADME Parameters
2.3. Identification of 53 Compounds Related to Gastrointestinal (GI) Disease in PTB
2.4. All 52 GI Disease-Related Compounds, Except 6-Shogaolin, in PTB Are Related to GMDs
2.5. The Network of GMD-Related Genes and Compounds for Identifying Molecules of Interest
2.6. Effects of PTB Extract on the Pacemaker Potential of ICCs
2.7. Importance of Ca2+ in PTB Extract-Induced Pacemaker Potential Depolarization of ICCs
2.8. Importance of Muscarinic M3, 5-HT3, and 5-HT7 Receptors in PTB Extract-Induced Pacemaker Potential Depolarization of ICCs
2.9. Effects of PTB Extract on the ITR
3. Discussion
4. Materials and Methods
4.1. Network-Based Pharmacological Analysis by PTB
4.1.1. Identification of PTB Compounds
4.1.2. Analysis of Targets
4.1.3. Network Analysis
4.1.4. Active Compound Screening
4.2. Animal Experiments
4.2.1. Preparation of the PTB Extract
4.2.2. Preparation of ICCs
4.2.3. Electrophysiological Experiments
4.2.4. Intestinal Transit Rate (ITR)
4.2.5. GMD Model Mice
4.2.6. Statistical Analyses
5. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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Molecule Name | Structure | MW | OB (%) * | Caco-2 * | DL * |
---|---|---|---|---|---|
(3S,6S)-3-(benzyl)-6-(4-hydroxybenzyl)piperazine-2,5-quinone | | 310.38 | 46.89 | 0.41 | 0.27 |
10,13-eicosadienoic | | 308.56 | 39.99 | 1.22 | 0.2 |
12,13-epoxy-9-hydroxynonadeca-7,10-dienoic acid | | 324.51 | 42.15 | 0.18 | 0.24 |
24-Ethylcholest-4-en-3-one | | 412.77 | 36.08 | 1.46 | 0.76 |
6-shogaol | | 276.41 | 31 | 1.07 | 0.14 |
8-Octadecenoic acid | | 282.52 | 33.13 | 1.15 | 0.14 |
baicalein | | 270.25 | 33.52 | 0.63 | 0.21 |
beta-sitosterol | | 414.79 | 36.91 | 1.32 | 0.75 |
Cavidine | | 353.45 | 35.64 | 1.08 | 0.81 |
coniferin | | 314.41 | 31.11 | 0.42 | 0.32 |
cyclo-(leu-tyr) | | 276.37 | 111.16 | 0.16 | 0.15 |
cyclo-(val-tyr) | | 262.34 | 122.79 | 0.17 | 0.14 |
Cycloartenol | | 426.8 | 38.69 | 1.53 | 0.78 |
EIC | | 280.5 | 41.9 | 1.16 | 0.14 |
gondoic acid | | 310.58 | 30.7 | 1.2 | 0.2 |
linolenic acid | | 278.48 | 45.01 | 1.21 | 0.15 |
Methyl palmitelaidate | | 268.49 | 34.61 | 1.4 | 0.12 |
oleic acid | | 282.52 | 33.13 | 1.17 | 0.14 |
pedatisectine a | | 242.27 | 64.09 | −0.3 | 0.16 |
Stigmasterol | | 412.77 | 43.83 | 1.44 | 0.76 |
Molecule Name | Gene Name | Disease Name |
---|---|---|
(3S,6S)-3-(benzyl)-6-(4-hydroxybenzyl)piperazine-2,5-quinone | PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome |
3,4,5-trihydroxybenzoic acid | HSP90AA1 | Gastrointestinal stromal tumors (GIST) |
PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome | |
6-shogaol | PPARG | Crohn’s disease, unspecified Inflammatory bowel disease Pancreatic cancer Ulcerative colitis |
ANN | PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome |
ASI | ALOX5 | Gastrointestinal cancers Inflammatory bowel disease Pancreatic cancer Ulcerative colitis |
NOS1 | GI motility disorder 1 | |
baicalein | FOS | GI motility disorder 1 |
HSP90AA1 | Gastrointestinal stromal tumors (GIST) | |
MPO | GI motility disorder 1 | |
PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome | |
beta-D-Ribofuranoside, xanthine-9 | PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome |
beta-elemene | PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome |
beta-sitosterol | HSP90AA1 | Gastrointestinal stromal tumors (GIST) |
OPRM1 | GI motility disorder 1 Diarrhea | |
Opioid-induced bowel dysfunction | ||
PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome | |
SCN5A | GI motility disorder 1 | |
SLC6A4 | GI motility disorder 1 | |
caffeic acid | PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome |
TNF | GI motility disorder 1 | |
Crohn’s disease, unspecified | ||
Cavidine | HSP90AA1 | Gastrointestinal stromal tumors (GIST) |
HTR3A | Chemotherapy-induced nausea and vomiting Diarrhea Irritable bowel syndrome Postoperative nausea and vomiting | |
OPRM1 | GI motility disorder 1 Diarrhea Opioid-induced bowel dysfunction | |
PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome | |
SCN5A | GI motility disorder 1 | |
SLC6A4 | GI motility disorder 1 | |
cis-p-Coumarate | PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome |
coniferin | CA2 | Pancreatic cancer |
OPRM1 | GI motility disorder 1 Diarrhea Opioid-induced bowel dysfunction | |
PPARG | Crohn’s disease, unspecified Inflammatory bowel disease Pancreatic cancer Ulcerative colitis | |
PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome | |
SCN5A | GI motility disorder 1 | |
Crysophanol | HSP90AA1 | Gastrointestinal stromal tumors (GIST) |
PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome | |
SCN5A | GI motility disorder 1 | |
cyclo-(val-tyr) | PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome |
D-2-Aminobutyrate | NOS1 | GI motility disorder 1 |
DAL | MMP12 | Crohn’s disease, unspecified Gastrointestinal ulcers Ulcerative colitis |
NOS1 | GI motility disorder 1 | |
DTY | ACHE | GI motility disorder 1 |
NOS3 | Colon cancer | |
PTGS2 | GI motility disorder 1 | |
Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome | ||
DUR | CA2 | Pancreatic cancer |
PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome | |
Eciphin | ACHE | GI motility disorder 1 |
NOS3 | Colon cancer | |
PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome | |
SCN5A | GI motility disorder 1 | |
SLC6A4 | GI motility disorder 1 | |
EIC | PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome |
TRPV1 | GI motility disorder 1 | |
FERULIC ACID (CIS) | LTA4H | Oesophageal cancer |
NOS3 | Colon cancer | |
PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome | |
gamma-aminobutyric acid | IL6 | GI motility disorder 1 |
GLY | AMY2A | Pancreatic disease |
CTNNB1 | Colorectal cancer | |
LTA4H | Oesophageal cancer | |
MMP12 | Crohn’s disease, unspecified Gastrointestinal ulcers Ulcerative colitis | |
NOS1 | GI motility disorder 1 | |
PTGS2 | GI motility disorder 1 | |
Adenomatous polyposis | ||
Colorectal cancer | ||
Peutz–Jeghers syndrome | ||
Gulutamine | LTA4H | Oesophageal cancer |
NOS1 | GI motility disorder 1 | |
PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome | |
gynesine | PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome |
HMF | ACHE | GI motility disorder 1 |
PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome | |
hydroquinone | TNF | GI motility disorder 1 |
Crohn’s disease, unspecified | ||
isolariciresino | CA2 | Pancreatic cancer |
HSP90AA1 | Gastrointestinal stromal tumors (GIST) | |
MAPK14 | Crohn’s disease, unspecified | |
NOS3 | Colon cancer | |
PPARG | Crohn’s disease, unspecified Inflammatory bowel disease Pancreatic cancer Ulcerative colitis | |
PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome | |
SCN5A | GI motility disorder 1 | |
Istidina | PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome |
L-Arginin | NOS1 | GI motility disorder 1 |
PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome | |
Leucinum | NOS1 | GI motility disorder 1 |
L-Ile | NOS1 | GI motility disorder 1 |
linolenic acid | ACTB | GI motility disorder 1 |
PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome | |
TRPV1 | GI motility disorder 1 | |
l-Pseudoephedrine | NOS3 | Colon cancer |
PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome | |
SCN5A | GI motility disorder 1 | |
SLC6A4 | GI motility disorder 1 | |
L-Valin | NOS1 | GI motility disorder 1 |
PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome | |
Methyl palmitelaidate | PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome |
Norharman | PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome |
oleic acid | CCK | GI motility disorder 1 |
CRP | GI motility disorder 1 | |
GCG | GI motility disorder 1 | |
INS | GI motility disorder 1 | |
MPO | GI motility disorder 1 | |
PPARG | Crohn’s disease, unspecified Inflammatory bowel disease Pancreatic Cancer Ulcerative colitis | |
PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome | |
PYY | GI motility disorder 1 | |
OMD | PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome |
palmitic acid | IL10 | GI motility disorder 1 |
PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome | |
TNF | GI motility disorder 1 | |
Crohn’s disease, unspecified | ||
pedatisectine a | PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome |
pedatisectine f | ACHE | GI motility disorder 1 |
PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome | |
PENTADECYLIC ACID | PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome |
protocatechuic acid | ALOX5 | Gastrointestinal cancers Inflammatory bowel disease Pancreatic cancer |
Ulcerative colitis | ||
PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome | |
Sitogluside | HSP90AA1 | Gastrointestinal stromal tumors (GIST) |
HTR3A | Chemotherapy-induced nausea and vomiting Diarrhea Irritable bowel syndrome Postoperative nausea and vomiting | |
PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome | |
SCN5A | GI motility disorder 1 | |
stearic acid | PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome |
Stigmasterol | LTA4H | Oesophageal cancer |
PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome | |
SCN5A | GI motility disorder 1 | |
succinic acid | NOS1 | GI motility disorder 1 |
THM | CA2 | Pancreatic cancer |
HSP90AA1 | Gastrointestinal stromal tumors (GIST) | |
PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome | |
Threonin | NOS1 | GI motility disorder 1 |
PTGS2 | GI motility disorder 1 | |
Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome | ||
vanillic acid | NOS3 | Colon cancer |
PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome | |
zoomaric acid | PTGS2 | GI motility disorder 1 Adenomatous polyposis Colorectal cancer Peutz–Jeghers syndrome |
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Choi, N.R.; Park, J.; Ko, S.-J.; Kim, J.N.; Choi, W.; Park, J.-W.; Kim, B.J. Prediction of the Medicinal Mechanisms of Pinellia ternata Breitenbach, a Traditional Medicine for Gastrointestinal Motility Disorders, through Network Pharmacology. Plants 2022, 11, 1348. https://doi.org/10.3390/plants11101348
Choi NR, Park J, Ko S-J, Kim JN, Choi W, Park J-W, Kim BJ. Prediction of the Medicinal Mechanisms of Pinellia ternata Breitenbach, a Traditional Medicine for Gastrointestinal Motility Disorders, through Network Pharmacology. Plants. 2022; 11(10):1348. https://doi.org/10.3390/plants11101348
Chicago/Turabian StyleChoi, Na Ri, Jongwon Park, Seok-Jae Ko, Jeong Nam Kim, Woogyun Choi, Jae-Woo Park, and Byung Joo Kim. 2022. "Prediction of the Medicinal Mechanisms of Pinellia ternata Breitenbach, a Traditional Medicine for Gastrointestinal Motility Disorders, through Network Pharmacology" Plants 11, no. 10: 1348. https://doi.org/10.3390/plants11101348