Elucidation of Phytochemicals Affecting Platelet Responsiveness in Dangguisu-san: Active Ingredient Prediction and Experimental Research Using Network Pharmacology
Abstract
:1. Introduction
2. Results
2.1. Network Pharmacology Analysis
2.1.1. Collecting Chemical Ingredients and Selecting Expected Active Compounds (EAC)
2.1.2. Prediction of Target Genes and Identification of Potential Targets
2.1.3. Analysis of Protein–Protein Interaction (PPI) Networks of Potential Targets and Key Targets
2.1.4. Kyoto Encyclopedia Genes and Genomes (KEGG) Signaling Pathway Enrichment Analysis
2.1.5. Analysis of Integrated Herbs-EAC-Key Targets-Pathways (H-C-T-P) Network
2.2. Key Component Chemical Profiling Analysis
2.3. Effects of Dangguisu-san and Its Components on Agonist-Induced Platelet Aggregation
3. Discussion
4. Materials and Methods
4.1. Network Pharmacology Analysis
4.1.1. Collecting Chemical Components of Dangguisu-san and Selecting EAC
4.1.2. Acquisition of EAC and Disease-Related Targets
4.1.3. Selection of Potential Targets
4.1.4. Construction and Analysis of the PPI Network and Selection of Key Targets
4.1.5. Analysis of KEGG Signaling Pathway
4.1.6. Construction of Integrated Herbs-EAC-Key Targets-Pathways (H-C-T-P) Network
4.2. Key Component Chemical Profiling Using HPLC-Q-TOF-MS
4.3. Reagents and Chemcicals
4.4. Preparation of Human Washed Platelets
4.5. Platelet Aggregation Measurement
4.6. TxB2 Production Measurement
5. Conclusions
Supplementary Materials
Author Contributions
Funding
Data Availability Statement
Conflicts of Interest
References
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Target Gene | Degree | Betweenness Centrality | Closeness Centrality | Relevance Score |
---|---|---|---|---|
STAT3 | 31 | 0.059 | 0.804 | 3.767 |
VEGFA | 29 | 0.058 | 0.774 | 7.895 |
IL6 | 28 | 0.067 | 0.759 | 8.536 |
SRC | 27 | 0.078 | 0.745 | 2.834 |
AKT1 | 27 | 0.041 | 0.745 | 11.390 |
EGFR | 26 | 0.040 | 0.732 | 1.950 |
TNF | 26 | 0.051 | 0.732 | 7.125 |
MMP9 | 23 | 0.026 | 0.695 | 3.936 |
PTPN11 | 21 | 0.019 | 0.672 | 2.467 |
CTNNB1 | 19 | 0.018 | 0.651 | 4.002 |
PIK3CA | 19 | 0.014 | 0.641 | 9.507 |
ALB | 18 | 0.028 | 0.641 | 7.226 |
HIF1A | 17 | 0.009 | 0.631 | 2.834 |
FGF2 | 17 | 0.009 | 0.631 | 3.380 |
TLR4 | 17 | 0.012 | 0.631 | 7.630 |
NFKB1 | 16 | 0.017 | 0.621 | 2.011 |
CXCR4 | 15 | 0.016 | 0.612 | 2.595 |
ICAM1 | 15 | 0.011 | 0.612 | 5.260 |
IL2 | 14 | 0.006 | 0.603 | 2.973 |
MMP2 | 14 | 0.007 | 0.603 | 3.102 |
JAK2 | 14 | 0.008 | 0.603 | 36.781 |
PDGFRB | 13 | 0.004 | 0.594 | 2.117 |
PTGS2 | 13 | 0.003 | 0.594 | 6.734 |
KDR | 12 | 0.003 | 0.577 | 2.177 |
MTOR | 12 | 0.006 | 0.569 | 2.209 |
NOS3 | 12 | 0.006 | 0.586 | 7.956 |
PPARG | 11 | 0.003 | 0.577 | 2.515 |
ESR1 | 11 | 0.002 | 0.554 | 3.424 |
MMP3 | 11 | 0.003 | 0.569 | 3.432 |
VCAM1 | 11 | 0.007 | 0.577 | 4.597 |
PLG | 11 | 0.005 | 0.562 | 12.016 |
SERPINE1 | 11 | 0.008 | 0.562 | 21.828 |
SYK | 10 | 0.005 | 0.562 | 2.066 |
BCL2L1 | 10 | 0.003 | 0.569 | 2.575 |
ITGB2 | 10 | 0.006 | 0.569 | 2.812 |
PDGFRA | 10 | 0.001 | 0.569 | 5.720 |
MMP1 | 9 | 0.000 | 0.539 | 2.561 |
CASP8 | 8 | 0.002 | 0.554 | 2.362 |
PIK3CG | 8 | 0.002 | 0.519 | 3.213 |
APP | 7 | 0.003 | 0.539 | 2.270 |
F3 | 7 | 0.002 | 0.506 | 23.179 |
F2 | 6 | 0.005 | 0.526 | 58.855 |
Key Components | Structure | Formula | Degree |
---|---|---|---|
Apigenin | C15H10O5 | 14 | |
Chrysoeriol | C16H12O5 | 14 | |
Luteolin | C15H10O5 | 14 | |
Sappanchalcone | C16H14O5 | 14 |
Key Components | Retention Time (min) | Observed m/z | Calculated m/z | Error ppm |
---|---|---|---|---|
Apigenin | 13.924 | 279.0448 [M-H]− | 269.0450 | −2.47 |
Chrysoeriol | 6.824 | 299.0559 [M-H]− | 299.0556 | −0.8 |
Luteoin | 8.015 | 285.0410 [M-H]− | 285.0399 | 2.19 |
Sappanchalcone | 7.373 | 285.0842 [M-H]− | 285.0763 | 0.35 |
TxA2 Production in 108 Platelets/mL | |
---|---|
Intact cell | 1.12 ± 0.21 |
Collagen 2.5 µg/mL | 120.09 ± 11.97 |
Chrysoeriol 32 µM + collagen 2.5 µg/mL | 28.23 ± 2.36 * |
Apigenin 32 µM + collagen 2.5 µg/mL | 23.97 ± 3.28 * |
Luteoin 32 µM + collagen 2.5 µg/mL | 29.53 ± 6.55 * |
Sappanchalcone 32 µM + collagen 2.5 µg/mL | 74.35 ± 11.81 * |
Aspirin 32 µM + collagen 2.5 µg/mL | 75.84 ± 12.06 * |
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Lee, D.-H.; Kwak, H.J.; Shin, Y.; Kim, S.J.; Lee, G.H.; Park, I.-H.; Kim, S.H.; Kang, K.S. Elucidation of Phytochemicals Affecting Platelet Responsiveness in Dangguisu-san: Active Ingredient Prediction and Experimental Research Using Network Pharmacology. Plants 2023, 12, 1120. https://doi.org/10.3390/plants12051120
Lee D-H, Kwak HJ, Shin Y, Kim SJ, Lee GH, Park I-H, Kim SH, Kang KS. Elucidation of Phytochemicals Affecting Platelet Responsiveness in Dangguisu-san: Active Ingredient Prediction and Experimental Research Using Network Pharmacology. Plants. 2023; 12(5):1120. https://doi.org/10.3390/plants12051120
Chicago/Turabian StyleLee, Dong-Ha, Hee Jae Kwak, Yonghee Shin, Sung Jin Kim, Ga Hee Lee, Il-Ho Park, Seung Hyun Kim, and Ki Sung Kang. 2023. "Elucidation of Phytochemicals Affecting Platelet Responsiveness in Dangguisu-san: Active Ingredient Prediction and Experimental Research Using Network Pharmacology" Plants 12, no. 5: 1120. https://doi.org/10.3390/plants12051120