Chapter
1.2.3. In Vitro and in vivo Studies
1.3. Modern TCM Formulae Research
1.3.1. Research on Therapeutic Materials Basis
1.3.2. Modern Pharmacology
1.3.2.1. Top-Down: Holistic Pharmacology and Active Components Screening
1.3.2.2. Bottom-Up: Pharmacological Evaluation of Key Active Components and Multicomponent Compatibility
1.4. Network Biology and TCM Network Pharmacology
Chapter 2: Theories and Methods for the Evaluation of the Pharmacodynamic Material Basis of Traditional Chinese Medicine
2.1. The Development of Research on the Pharmacodynamic Material Basis of TCM
2.2. New Methods for the Study of the Pharmacodynamic Material Basis of TCM
2.2.1. Combined Chemical Technologies for the Study of TCM
2.2.2. Serum Pharmacology and Serum Pharmacochemistry Method
2.2.3. Analysis of Spectrum-Effect Relationships
2.2.4. HTS of Multiple Targets
2.2.5. Molecular Biological Chromatography Technique
2.2.7. System Biology Method
Chapter 3: Application of Systems Biology in the Research of TCM Formulae
3.1. Omics in Systems Biology
3.1.1.1. Pharmacogenomics
3.1.3.1. Phosphoproteomics
3.1.4.1. Pharmacometabolomics
3.1.5. Other “Omics” Technologies
3.2. Application of Systems Biology in the Research of TCM Formulae
3.2.1. Action Mechanisms of TCM Formulae
3.2.2. The Concept of a Syndrome in TCM
3.2.3. Active Component Compatibility (or Synergy) in TCM Formulae
3.2.4. Pharmacokinetic Studies of TCM Formulae
3.2.5. Discovery and Development of TCM-Based New Drugs
Chapter 4: Network Pharmacology in the Study of TCM Formulae
4.1. Identification of Therapeutically Effective TCM Compounds
4.2. Identification of the Targets of Active TCM Compounds
4.2.1. Proteomic Technologies
4.2.2. Computational Predictions
4.2.3. Database Searching
4.3. Identification of Disease-Associated Genes and Construction of Disease-Related Networks
4.3.1. Identification of Disease-Associated Genes
4.3.2. Construction of Disease Networks
4.4. Identification of TCM Formulae-Regulated Signaling Pathways and the Evaluation of the TCM Formulae on Disease-Relate ...
4.4.1. Identification of Drug Target-Rich Pathways
4.4.2. Construction of Subnetworks Influenced by Drugs and Evaluation of the Effects of TCM Formulae
4.4.2.1. Heuristic Algorithm
4.4.2.2. Steiner Minimum Tree Algorithm
4.4.2.3. Network Proximity Scoring Algorithm
4.5.1. Case Study 1: Antidepressant Activity of St. John's Wort
4.5.2. Case Study 2: The Effect of Realgar-Indigo Naturalis Formula on Acute Promyelocytic Leukemia
Chapter 5: Application of Intestinal Flora in the Study of TCM Formulae
5.1. Classification of Intestinal Flora
5.2. The Relationship Between Intestinal Dysbacteriosis and Disease
5.3. Influence of Intestinal Bacterial Metabolism on Effective TCM Ingredients
5.3.1. Enhanced Absorption and Elevated Efficacy of Intestinal Flora Metabolism on TCM Ingredients
5.3.2. Attenuated or Increased Toxicity of Intestinal Flora on TCM Ingredients
5.3.3. Confirmation of the Rationality of TCM Synergy and Compatibility
5.4. Modulation of the Intestinal Flora by TCM
5.4.1. Regulation of Intestinal Flora Composition by TCM
5.4.1.1. Effects of a Single Herb or Single Extract on Intestinal Flora Composition
5.4.1.2. Effects of TCM Formulae on Intestinal Flora Composition
5.4.2. Protecting the Intestinal Mucosa Barrier Function and Preventing the Intestinal Bacteria Translocation Penetration
5.4.2.1. Single TCM Herbs
5.4.2.3. Other TCM Preparations
Chapter 6: Application of Connectivity Map (CMAP) Database to Research on Traditional Chinese Medicines (TCMs)
6.1. Establishing the CMAP Database
6.1.1. Molecules Treating Cell Lines
6.2.1. Application in Components of TCM
6.2.2. Application in TCM Formulae
Section 2: Case Study on Shexiang Baoxin Pill
Chapter 7: The Study of the Material Basis of the Shexiang Baoxin Pill
7.1. Identification of Nonvolatile Constituents in the TCM-Formula Shexiang Baoxin Pill by LC Coupled With DAD-ESI-MS-MS
7.1.1.1. Materials and Chemicals
7.1.1.2. Preparation of Samples
7.1.1.3. LC-DAD-MS System
7.1.2. Results and Discussion
7.1.2.1. LC-DAD Analysis of SBP
7.1.2.2. ESI-MS(2) Analysis of Authentic Compounds
7.1.2.3. LC-DAD-MS-MS Analysis of SBP
7.2. The Study on Volatile Components in the Shexiang Baoxin Pill
7.2.1. Instrumentation and Materials
7.2.2. Method and Results
7.2.2.1. Preparation of the Standard Solution
7.2.2.2. Preparation of Sample Solution
7.2.2.3. Chromatographic Conditions
7.2.2.4. Identification of SBP
Chapter 8: Study on the Serum Pharmacochemistry of the Shexiang Baoxin Pill
8.1. Analysis of the Nonvolatile Constituents in Rat Plasma After Oral Administration of the Baoxin Pill by HPLC-ESI-MS/MS
8.1.1.1. Chemicals and Reagents
8.1.1.2. Instrumentation and Conditions
8.1.1.3. Animals, Drug Administration, and Blood Sampling
8.1.1.4. Sample Preparation
8.1.2. Results and Discussion
8.1.2.1. LC-ESI-MS/MS Analysis of Shexiang Baoxin Pill Extracts and Plasma Samples
8.1.2.2. Method Validation
8.1.2.3. Identification of Prototype Components in Rat Plasma
8.1.2.4. Identification of Metabolites in Rat Plasma
8.2. Analysis of the Volatile Constituents in Rat Plasma After Oral Administration of the Shexiang Baoxin Pill by GC-MS
8.2.1. Instrument and Reagent
8.2.1.1. Mass Spectrometer
8.2.1.4. Shexiang Baoxin Pill Analysis and Sample Preparation
8.2.1.5. Separate Condition
8.2.2. Results and Discussion
Chapter 9: The Quality Study of the Shexiang Baoxin Pill
9.1. The Quality Study of Bovis Calculus in the SBP
9.1.1.1. Reagents and Materials
9.1.1.2. Chromatographic System
9.1.1.3. Analytical Conditions
9.1.1.4. Sample Preparation
9.1.1.5. Calibration Curves
9.1.2. Results and Discussion
9.1.2.1. Chromatographic Analysis
9.2. The Quality Standard of the SBP
9.2.1. The Quality Standard of Nonvolatile Components in the SBP
9.2.1.2. Results and Discussion
Chemical Fingerprint of SBP
Sample Analysis and Quality Evaluation
9.2.2. The Quality Standard of Volatile Components in the SBP
9.2.2.2. Results and Discussion
Chemical Fingerprinting Analysis
Chapter 10: Pharmacokinetic Study of the Shexiang Baoxin Pill
10.1. Pharmacokinetic Study of Five Ginsenosides Following Single and Multiple Oral Administrations of The Shexiang Baoxi ...
10.1.1.1. Chemicals and Reagents
10.1.1.3. Preparation of the SBP Extract and the Determination of Five Ginsenosides in the Extract
10.1.1.4. Preparation of Calibration Standards and Quality Control (QC) Samples
10.1.1.5. Instruments and LC-MS/MS Conditions
10.1.1.6. Sample Preparation
10.1.1.7. Method Validation
Experimental Design for Animals
PK Calculation and Statistics
10.1.2. Results and Discussion
10.1.2.1. Method Development
10.1.2.2. Method Validation
10.2. Pharmacokinetics and Tissue Distribution of Five Bufadienolides From the SBP in Mice
10.2.1.1. Chemicals and Reagents
10.2.1.3. Instruments and Conditions
Mass Spectrometric Conditions
10.2.1.4. Determination of Five Bufadienolides in the SBP
10.2.1.5. Standard and Sample Preparation
10.2.1.6. Method Validation
Specificity and Selectivity
Extraction Recovery Rates and Matrix Effects
10.2.1.7. Pharmacokinetics and Tissue Distribution Study
10.2.1.8. Statistical Analysis
10.2.2. Results and Discussion
10.2.2.1. Method Validation
Specificity and Selectivity
Extraction Recovery Rates and Matrix Effects
10.2.2.2. Pharmacokinetic Studies
10.2.2.3. Tissue Distribution Studies
10.3. Pharmacokinetic Study of Four Volatile Compounds in the SBP
10.3.1.1. Chemicals and Reagents
10.3.1.2. Instrumentation and Analytical Conditions
10.3.1.3. Assaying the Dosage of Oral Administration of Four Volatile Compounds
10.3.1.4. Preparation of Standard and Quality Control (QC) Samples
10.3.1.5. Method Validation
10.3.2. Results and Discussion
10.3.2.1. Method Development
Optimization of SPDE Extraction Conditions
10.3.2.2. Method Validation
Specificity, Calibration Curves, Linearity, LLOQ, and LOD
10.3.2.3. Application to Pharmacokinetic Study
Chapter 11: The Metabolomics Study of the Shexiang Baoxin Pill
11.1. The Treatment Effects of SBP in the Acute MI in a Rat Using a Metabolomic Method
11.1.1.3. MI Model and Drug Administration
11.1.1.4. Sample Collecting
11.1.1.5. Preparation of Metabolomic Samples
11.1.1.6. Preparation of Histopathologic Samples
11.1.1.7. LC-Q-TOF-MS Conditions
11.1.1.8. Analytical Method Assessment
11.1.1.9. Statistical Analysis
11.1.2. Results and Discussion
11.1.2.2. Assessment of the Repeatability and Stability of the LC-Q-TOF-MS Method
11.1.2.3. Biomarker Identification
11.1.2.4. The Network of Identified Biomarkers and Their Functions
11.1.2.5. Metabolomic Study of SBP Treatment
11.2. The Protective Effects of the SBP in the Early Period of Acute MI in Rats Using a Metabolomic Method
11.2.1.2. Animal and MI Model
11.2.1.3. Drug Administration and Sample Collection
11.2.1.4. Sample Preparation
11.2.1.5. Conditions of Liquid Chromatography-Quadrupole-Time of Flight-Mass Spectrometry (LC-Q-TOF-MS)
11.2.1.6. Method Validation
11.2.1.7. Data Processing
11.2.2. Result and Discussion
11.2.2.1. ECG and Enzyme Test
11.2.2.2. Optimization of LC-MS
11.2.2.3. LC-Q-TOF-MS Method Validation
11.2.2.4. Identification of Biomarkers in the Early Period of AMI in Rats
11.2.2.5. Biomarkers and Their Pathways
11.2.2.6. Metabolomic Study of SBP Pretreatment
Chapter 12: Network Pharmacology Study of the Shexiang Baoxin Pill
12.1. A Survey on Coronary Heart Disease-Related Signal Pathways
12.1.2. Cells, Pathways, and Proteins Related to CHD
12.1.2.3. Monocytes and Macrophages
12.1.2.6. Dendritic Cells
12.2. Therapeutic Mechanism of the Shexiang Baoxin Pill on Cardiovascular Diseases From the Perspective of Protein Intera ...
12.2.2. Materials and Methods
12.2.2.1. Data Preparation
12.2.2.2. Microarray Experiment and Significantly Expressed Genes
12.2.2.3. RWR-Based Evaluation of Drug's Effect
Scoring Disease's Effect on the Human PPI Network
Scoring Drug's Effect on the Human PPI Network
Scoring Effects of a Drug to Disease
Scoring Effects of a Drug or Disease on Pathways
12.2.2.4. Target Validation by Western Blot
Western Blot Analysis in Human Umbilical Vein Endothelial Cells
12.2.3. Results and Discussion
12.2.3.1. Overlap of CVD Disease Genes With the SBP's Target Genes
12.2.3.2. Network Analysis of SBP on CVD
12.2.3.3. Pathways Significantly Regulated by SBP
12.2.3.4. Microarray Experiment Validation
12.2.3.5. Target Validation in Cell-Based Studies
Systems Biology and Its Application in TCM Formulas Research
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