Chinmedomics - Hui Sun, Xijun Wang, Aihua Zhang

Chinmedomics (eBook)

The Integration of Serum Pharmacochemistry and Metabolomics to Elucidate the Scientific Value of Traditional Chinese Medicine

Hui Sun, Xijun Wang, Aihua Zhang (Autoren)

eBook Download: PDF | EPUB

2015 | 1. Auflage
408 Seiten
Elsevier Science (Verlag)
978-0-12-803118-6 (ISBN)

Chinmedomics: The Integration of Serum Pharmacochemistry and Metabolomics to Elucidate the Scientific Value of Traditional Chinese Medicine uses new experimental techniques and research to open doors in drug discovery and development related to traditional Chinese medicine (TCM). This book features a unique approach that combines chemometric analysis with metabolomics studies to illuminate significant changes that have occurred in syndrome states while simultaneously analyzing the efficacy of chemical ingredients in herbal medicines. Chapters provide cutting-edge information on traditional medicine, analytical technology, natural products, metabolomics, bioinformatics and their applications. This book provides a valuable resource for pharmacologists, pharmaceutical scientists, medicinal plant researchers, pharmacognosists and chemists working with TCM and highlights ways to further research and advances in this area in the future.

Presents a practical guide for new practitioners of Chinmedomics with insights on the current use and future development of this method
Each chapter includes an introduction, method, references to the latest literature, possible mechanisms of action and applications
Edited by the leading experts of research related to Chinmedomics

Xijun Wang, PhD, is a Professor of Pharmacology of Traditional Chinese Medicine (TCM) and Vice President at Heilongjiang University of Chinese Medicine in China. Dr. Wang has published more than 150 papers in peer-reviewed journals, received the National Science and Technology Progress Award and National Technological Invention Award and holds 20 patents. His research focuses on serum Pharmacochemistry of Traditional Chinese Medicines. By integrating metabolomics with serum Pharmacochemistry of TCM Dr. Wang has developed and established the theory and research methods of Chinmedomics, whereby the clinical efficacy of TCM formulae can be measured and analyzed.

Chinmedomics: The Integration of Serum Pharmacochemistry and Metabolomics to Elucidate the Scientific Value of Traditional Chinese Medicine uses new experimental techniques and research to open doors in drug discovery and development related to traditional Chinese medicine (TCM). This book features a unique approach that combines chemometric analysis with metabolomics studies to illuminate significant changes that have occurred in syndrome states while simultaneously analyzing the efficacy of chemical ingredients in herbal medicines. Chapters provide cutting-edge information on traditional medicine, analytical technology, natural products, metabolomics, bioinformatics and their applications. This book provides a valuable resource for pharmacologists, pharmaceutical scientists, medicinal plant researchers, pharmacognosists and chemists working with TCM and highlights ways to further research and advances in this area in the future. Presents a practical guide for new practitioners of Chinmedomics with insights on the current use and future development of this method Each chapter includes an introduction, method, references to the latest literature, possible mechanisms of action and applications Edited by the leading experts of research related to Chinmedomics

Chapter 2

Methods and Protocols of Chinmedomics

Xijun Wang

Aihua Zhang

Hui Sun

Ying Han

Abstract

Traditional Chinese Medicine (TCM) has been playing a very important role in health protection and disease control for thousands of years in Asia. The key problem in TCM research is how to use the modern tools available to help revive ancient TCM. Fortunately, the rapid development of the chinmedomics platform provides a methodological basis for a deep understanding of the essence of TCM. Chinmedomics seeks to explore the key marker metabolites and metabolic pathways of syndrome, and the therapeutic, synergistic properties and in vivo metabolism of formulae. The recent rapid development of a range of the analytical platforms could enable separation, detection, characterization, quantification of the low-molecular-weight metabolites, and related metabolic pathways. Contemporary, widespread usage of the chinmedomics technique into TCM practice; would significantly advance the bridging of the gap between Chinese and Western medicine.

Keywords

chinmedomics

metabolomics

pattern recognition method

biomarker

identification

liquid chromatography-mass spectrometry

Contents

2.1 Introduction 17

2.2 Analytical Technologies 18

2.3 Sampling 19

2.4 Data Extraction and Analysis 19

2.5 Marker Identification and Validation 21

2.6 Correlation Analysis between Marker Metabolites and Absorbed Chemical Components 22

2.7 Goals for Chinmedomics 22

2.7.1 Biological Mechanisms of the TCM Syndrome 23

2.7.2 Pharmacological Effects of Formulae 23

2.7.3 Correlation Analysis of Formulae and Syndrome for Effective Substances 24

2.8 Chinmedomics for Yinchenhao Tang: A Case Study 24

2.9 Conclusions 26

2.1. Introduction

Chinmedomics, the primary definition is an elucidation of the therapeutic, synergistic properties, and the metabolism of Traditional Chinese Medicine (TCM) formulae and related metabolic pathways using modern analytical techniques, through the integration of Serum Pharmacochemistry and Metabolomics to elucidate the scientific value of TCM; this elucidation has recently showed significant potential in the TCM field (Wang et al., 2012a). Briefly, metabolomics technology is used to clarify the biological mechanism of syndrome, and the Serum Pharmacochemistry of TCM is to discover the potential active substances in the body after oral TCM. Under the premise of the efficacy and effectiveness of formulae, correlation analysis between the exogenous ingredients in vivo after oral formulae and endogenous marker metabolites is to clarify the effective substances that are highly associated with the overall effect of the formulae. Adoption of the chinmedomics approach would assist in exploring the scientific connotation of the TCM syndrome and the function of formulae, and forming linking bridge between TCM and modern medicine. The Chinmedomics approach is considered to have the potential to revolutionize TCM research, and to advance the development of formulae. It holds the promise of a comprehensive, noninvasive analysis of metabolic biomarkers that could help to monitor treatment response and drug discovery of formulae. Some new molecular targets and signaling pathways can be identified through the chinmedomics analysis, which could then become a platform for the development of new therapies or drugs.

The introduction of the concept of chinmedomics, enables the study of low-molecular-weight metabolites in living systems from a holistic perspective based on the metabolic profiling of syndrome. Metabolites are important indicators of physiological or pathological states, and can provide information for the identification of biomarkers for syndrome, and assist in the understanding of its occurrence and progression (Wang et al., 2012b). These small molecules, including peptides, amino acids, nucleic acids, carbohydrates, organic acids, vitamins, polyphenols, alkaloids and inorganic, are small-molecule biomarkers that represent the functional phenotype (Wang et al., 2013a). In recent years, the hyphenated analytical techniques such as liquid chromatography-mass spectrometry (LC–MS), gas chromatography-mass spectrometry (GC–MS), capillary electrophoresis-mass spectrometry (CE–MS), and matrix assisted laser desorption ionization-mass spectrometry, etc. often leads to better analyte coverage of the metabolome. Bioinformation derived from these techniques could provide accurate and clinically useful diagnostic capability for the management of diseases at the metabolic level.

2.2. Analytical Technologies

Separation and identification of the small molecules has been made possible by technological advances. These innovational technologies including accurate measurement of high-resolution MS and NMR technology, can accomplish detection of metabolites within a few minutes. Measuring such low-molecular-weight metabolites could offer deeper insights into mechanisms of the specific diseases. Metabolites are biological characteristics that are objectively measured and evaluated as indicators of normal biological, and pathological processes or pharmacologic responses to a therapeutic intervention, widely used in clinical practice. The application of analytical technologies to the measurement of metabolites has helped illuminate the effects of drug perturbations. Owing to the complexity of metabolites, and the large number of metabolites therein, advanced and high-throughput separation techniques have been coupled to high-resolution MS platforms that are frequently used to provide the sensitive, and reproducible detection of hundreds to thousands of metabolites in biofluids.

Every technique has its advantages and drawbacks, no existing analytical technique can be versatile. NMR has many advantages, but the sensitivity of NMR is relatively poor compared with MS methods, and concentrations of potential biomarkers may be below the detection limit. GC/MS requires sample derivatization to create volatile compounds. Nonvolatile compounds that do not derivatize and large or thermo-labile compounds will not be observed in the GC/MS analysis. The recent introduction of UPLC, employs porous particles with internal diameters smaller than 2 μm, in combination with MS, resulting in higher peak capacity, improved resolution, and increased sensitivity compared to conventional LC columns, therefore, making it even more suitable for a metabolomics approach (Wang et al., 2011). In view of the recent developments in the separation sciences, leading to the advent of UPLC and MS-based technologies showing the ever-improving resolution of metabolite species and the precision of mass measurements. Each technique has associated advantages and disadvantages. Clearly, no single analytical methodology is ideal for all of the many thousands of metabolites in a biological system; instead, integrated platforms have been frequently used to provide the sensitive and reproducible detection of thousands of metabolites in a biofluid sample. Thus, a combination of different analytical technologies must be used to gain a broad perspective of the metabolome.

2.3. Sampling

Metabolomics represents a comprehensive method for metabolite assessment that involves measuring the overall metabolites of biological samples. It enables the parallel assessment of the levels of a broad range of endogenous and exogenous metabolites, and has been shown to have a great impact in the investigation of physiological status, diagnosing diseases, discovering biomarkers, and identifying perturbed pathways. The small-molecule metabolites have an important role in biological systems and represent attractive candidates to understand disease phenotypes. It represent a diverse group of low-molecular-weight structures: including lipids, amino acids, peptides, nucleic acids, organic acids, vitamins, thiols, and carbohydrates. Metabolite changes that are observed in diseased individuals as a primary indicator; have become possible, and hence the measurement of metabolites has become an important part of clinical practice. Employing a range of bioﬂuids including: plasma and whole blood, serum, urine, saliva, cerebrospinal fluid, synovial fluid, semen, and tissue homogenates has a number of advantages, that have ensured the widespread use of metabolites as a diagnostic tool in clinical practice (Zhang et al., 2012a). Metabolic profiling of biofluids and tissues can provide a panoramic view of abundance changes in endogenous metabolites when monitoring cellular responses to perturbations, such as diseases and drug treatments. Precise identification and the accurate quantification of metabolites facilitates downstream pathway and network analysis for the further discovery of clinically accessible and minimally invasive biomarkers of TCM efficacy and toxicity. On the other hand, chinmedomics offers potential advantages that classical diagnostics approaches do not, based on following the discovery of a suite of clinically relevant biomarkers that are simultaneously affected by the disease.

2.4. Data Extraction and Analysis

Owing to the complexity and volume of the data generated by...

Erscheint lt. Verlag	18.9.2015
Sprache	englisch
Themenwelt	Medizin / Pharmazie ► Medizinische Fachgebiete ► Pharmakologie / Pharmakotherapie
	Studium ► 1. Studienabschnitt (Vorklinik) ► Biochemie / Molekularbiologie
	Naturwissenschaften ► Biologie ► Genetik / Molekularbiologie
	Naturwissenschaften ► Chemie ► Organische Chemie
ISBN-10	0-12-803118-2 / 0128031182
ISBN-13	978-0-12-803118-6 / 9780128031186

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