Abstract
Traditional Chinese Medicine (TCM), which has been used for thousands of years to treat diseases, provides unique theoretical and practical methodologies for disease control. With the increasing accumulation of TCM data, it is imperative to study and analyze these resources with modern technologies and to elucidate the molecular mechanisms of TCM therapy. However, the philosophy, framework and technique of TCM are quite different from those of Western medicine, which causes complications when attempting to design modern drug treatments based on TCM. To meet this challenge, some basic chemoinformatics techniques, including molecular similarity searching, virtual screening and inverse docking, have been utilized in an attempt to gain a deeper understanding of TCM and to accelerate the TCM-based drug discovery. Recent progress on the use of chemoinformatics in TCM research will be discussed and an example of the preliminary application of chemoinformatics methods in anticancer drug design will be provided.
Keywords: Traditional Chinese Medicine, chemoinformatics, drug design, TCM databases, molecular similarity, virtual screening, inverse docking
Current Drug Discovery Technologies
Title: Chemoinformatics Approaches for Traditional Chinese Medicine Research and Case Application in Anticancer Drug Discovery
Volume: 7 Issue: 1
Author(s): Xue-Juan Li, De-Xin Kong and Hong-Yu Zhang
Affiliation:
Keywords: Traditional Chinese Medicine, chemoinformatics, drug design, TCM databases, molecular similarity, virtual screening, inverse docking
Abstract: Traditional Chinese Medicine (TCM), which has been used for thousands of years to treat diseases, provides unique theoretical and practical methodologies for disease control. With the increasing accumulation of TCM data, it is imperative to study and analyze these resources with modern technologies and to elucidate the molecular mechanisms of TCM therapy. However, the philosophy, framework and technique of TCM are quite different from those of Western medicine, which causes complications when attempting to design modern drug treatments based on TCM. To meet this challenge, some basic chemoinformatics techniques, including molecular similarity searching, virtual screening and inverse docking, have been utilized in an attempt to gain a deeper understanding of TCM and to accelerate the TCM-based drug discovery. Recent progress on the use of chemoinformatics in TCM research will be discussed and an example of the preliminary application of chemoinformatics methods in anticancer drug design will be provided.
Export Options
About this article
Cite this article as:
Li Xue-Juan, Kong De-Xin and Zhang Hong-Yu, Chemoinformatics Approaches for Traditional Chinese Medicine Research and Case Application in Anticancer Drug Discovery, Current Drug Discovery Technologies 2010; 7 (1) . https://dx.doi.org/10.2174/157016310791162749
DOI https://dx.doi.org/10.2174/157016310791162749 |
Print ISSN 1570-1638 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-6220 |
- Author Guidelines
- Graphical Abstracts
- Fabricating and Stating False Information
- Research Misconduct
- Post Publication Discussions and Corrections
- Publishing Ethics and Rectitude
- Increase Visibility of Your Article
- Archiving Policies
- Peer Review Workflow
- Order Your Article Before Print
- Promote Your Article
- Manuscript Transfer Facility
- Editorial Policies
- Allegations from Whistleblowers
- Announcements
Related Articles
-
Mesenchymal Stem Cells: New Approaches for the Treatment of Neurological Diseases
Current Stem Cell Research & Therapy Commercially Available, FDA-approved Epigenetic Modifiers As Therapeutic Agents in Bacterial Infection
Clinical Anti-Inflammatory & Anti-Allergy Drugs (Discontinued) Targeting Opioid and Neurokinin-1 Receptors to Treat Alcoholism
Current Medicinal Chemistry Adiposity and the Gut - The Role of Gut Hormones
Current Nutrition & Food Science Natural Products as Anti-Cancerous Therapeutic Molecules Targeted towards Topoisomerases
Current Protein & Peptide Science HER2-Mediated Anticancer Drug Delivery: Strategies to Prepare Targeting Ligands Highly Specific for the Receptor
Current Medicinal Chemistry Mechanisms of Tubulin Binding Ligands to Target Cancer Cells: Updates on their Therapeutic Potential and Clinical Trials
Current Cancer Drug Targets Meet Our Regional Editor
Anti-Cancer Agents in Medicinal Chemistry Anti-Oxidative Polyphenolic Compounds of Cocoa
Current Pharmaceutical Biotechnology COX-2 Signaling and Cancer: New Players in Old Arena
Current Drug Targets Neonatal Fc Receptor and its Role in the Absorption, Distribution, Metabolism and Excretion of Immunoglobulin G-Based Biotherapeutics
Current Drug Metabolism Preoperative Albumin Level Serves as a Predictor for Postoperative Pulmonary Complications Following Elective Laparoscopic Gastrectomy
Current Pharmaceutical Design Heterocyclic N-Oxides - An Emerging Class of Therapeutic Agents
Current Medicinal Chemistry Antioxidant Properties of Fractions for Unripe Fruits of Capsicum annuum L. var. Conoides
Anti-Cancer Agents in Medicinal Chemistry Pharmacogenetics in Geriatric Medicine: Challenges and Opportunities for Clinical Practice
Current Drug Metabolism Recent Advances in Antibody-Drug Conjugates for Breast Cancer Treatment
Current Medicinal Chemistry Are Selenoproteins Important for the Cancer Protective Effects of Selenium?
Current Nutrition & Food Science Therapeutic Effect of Ghrelin in the Course of Ischemia/Reperfusion-Induced Acute Pancreatitis
Current Pharmaceutical Design Phospholipase D Inhibition: Beneficial and Harmful Consequences for a Double-Dealer Enzyme
Current Enzyme Inhibition New Indications for Established Drugs: Combined Tumor-Stroma-Targeted Cancer Therapy with PPARγ Agonists, COX-2 Inhibitors, mTOR Antagonists and Metronomic Chemotherapy
Current Cancer Drug Targets