Abstract
Thailand has a vast number of plant species. Up to 3000 of them are believed by traditional Thai medicine to possess some biological activity with which researchers have attempted for many years to identify and formulate new drugs. Many chemical compounds from Thai plant species are identified and tested for biological activity that may enable them to be declared lead compounds in drug discovery. Modern methods of drug discovery are rarely used to rationalize and speed-up the process. Within this decade, the first structural database of Thai medicinal plants, Chemiebase, has been built as a platform for virtual screening, using knowledge from Thai traditional medicine. Although this effort is a promising protocol which can be used to validate Thai traditional medicine, there exists another problem that should be resolved before proceeding: It is almost impossible to trace the knowledge to its primary source. Thai traditional knowledge has been passed on orally or - less frequently - in ancient texts. We have built another database, the Thai Herbal Repository Access Initiative (THRAI) database, in order to compile the traditional knowledge into electronic format suitable for the drug design process. Three examples using data from these databases and other computer-aided drug discovery methods to rationalize Thai traditional medicine are presented here, starting with virtual screening exercised on anti-HIV-1 reverse transcriptase, anti-HIV-1 protease, anti-influenza A neuraminidase, and anti-cyclooxygenase (COX), candidates. The second example consists of the use of molecular modeling to propose drug mechanism for anti-tumor compounds. The last one is the study on toxicity assessment of some compounds from Thai medicinal plants.
Keywords: Thai traditional medicine, Thai medicinal plants, Thai herbs, Thai traditional knowledge, virtual screening, computer-aided drug discovery, THRAI, chemiebase, ADMET
Current Pharmaceutical Design
Title: Computer Techniques for Drug Development from Thai Traditional Medicine
Volume: 16 Issue: 15
Author(s): Chak Sangma, Daungmanee Chuakheaw, Nipa Jongkon and Savitri Gadavanij
Affiliation:
Keywords: Thai traditional medicine, Thai medicinal plants, Thai herbs, Thai traditional knowledge, virtual screening, computer-aided drug discovery, THRAI, chemiebase, ADMET
Abstract: Thailand has a vast number of plant species. Up to 3000 of them are believed by traditional Thai medicine to possess some biological activity with which researchers have attempted for many years to identify and formulate new drugs. Many chemical compounds from Thai plant species are identified and tested for biological activity that may enable them to be declared lead compounds in drug discovery. Modern methods of drug discovery are rarely used to rationalize and speed-up the process. Within this decade, the first structural database of Thai medicinal plants, Chemiebase, has been built as a platform for virtual screening, using knowledge from Thai traditional medicine. Although this effort is a promising protocol which can be used to validate Thai traditional medicine, there exists another problem that should be resolved before proceeding: It is almost impossible to trace the knowledge to its primary source. Thai traditional knowledge has been passed on orally or - less frequently - in ancient texts. We have built another database, the Thai Herbal Repository Access Initiative (THRAI) database, in order to compile the traditional knowledge into electronic format suitable for the drug design process. Three examples using data from these databases and other computer-aided drug discovery methods to rationalize Thai traditional medicine are presented here, starting with virtual screening exercised on anti-HIV-1 reverse transcriptase, anti-HIV-1 protease, anti-influenza A neuraminidase, and anti-cyclooxygenase (COX), candidates. The second example consists of the use of molecular modeling to propose drug mechanism for anti-tumor compounds. The last one is the study on toxicity assessment of some compounds from Thai medicinal plants.
Export Options
About this article
Cite this article as:
Sangma Chak, Chuakheaw Daungmanee, Jongkon Nipa and Gadavanij Savitri, Computer Techniques for Drug Development from Thai Traditional Medicine, Current Pharmaceutical Design 2010; 16 (15) . https://dx.doi.org/10.2174/138161210791164054
DOI https://dx.doi.org/10.2174/138161210791164054 |
Print ISSN 1381-6128 |
Publisher Name Bentham Science Publisher |
Online ISSN 1873-4286 |
Call for Papers in Thematic Issues
"Tuberculosis Prevention, Diagnosis and Drug Discovery"
The Nobel Prize-winning discoveries of Mycobacterium tuberculosis and streptomycin have enabled an appropriate diagnosis and an effective treatment of tuberculosis (TB). Since then, many newer diagnosis methods and drugs have been saving millions of lives. Despite advances in the past, TB is still a leading cause of infectious disease mortality ...read more
Current Pharmaceutical challenges in the treatment and diagnosis of neurological dysfunctions
Neurological dysfunctions (MND, ALS, MS, PD, AD, HD, ALS, Autism, OCD etc..) present significant challenges in both diagnosis and treatment, often necessitating innovative approaches and therapeutic interventions. This thematic issue aims to explore the current pharmaceutical landscape surrounding neurological disorders, shedding light on the challenges faced by researchers, clinicians, and ...read more
Emerging and re-emerging diseases
Faced with a possible endemic situation of COVID-19, the world has experienced two important phenomena, the emergence of new infectious diseases and/or the resurgence of previously eradicated infectious diseases. Furthermore, the geographic distribution of such diseases has also undergone changes. This context, in turn, may have a strong relationship with ...read more
Melanoma and Non-Melanoma Skin Cancer Treatment: Standard of Care and Recent Advances
In this thematic issue, we aim to provide a standard of care of the diagnosis and treatment of melanoma and non-melanoma skin cancer. The editor will invite authors from different countries who will write review articles of melanoma and non-melanoma skin cancers. The Diagnosis, Staging, Surgical Treatment, Non-Surgical Treatment all ...read more
- 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
-
Targeted Therapies in Metastatic Melanoma: Toward a Clinical Breakthrough?
Anti-Cancer Agents in Medicinal Chemistry Multiscale Imaging of Nanoparticle Drug Delivery
Current Drug Targets Current Opinion in the Pharmaceutical Management of Irritable and Inflammatory Bowel Diseases: Role of ATP
Recent Patents on Endocrine, Metabolic & Immune Drug Discovery Identifying GPCRs and their Types with Chou’s Pseudo Amino Acid Composition: An Approach from Multi-scale Energy Representation and Position Specific Scoring Matrix
Protein & Peptide Letters β-Aminocarbonyl Compounds: Chemistry and Biological Activities
Mini-Reviews in Organic Chemistry Polyunsaturated Fatty Acids in Pathological Retinal Angiogenesis
Current Nutrition & Food Science Membrane Fusion Mediated Targeted Cytosolic Drug Delivery Through scFv Engineered Sendai Viral Envelopes
Current Molecular Medicine Beneficial and Detrimental Effects of Antioxidants Use in Sports: How is it Balanced?
Current Nutraceuticals Chinese Medicinal Herbs as Source of Antioxidant Compounds – Where Tradition Meets the Future
Current Medicinal Chemistry Antioxidant and Antimicrobial Activities of Cinnamic Acid Derivatives
Mini-Reviews in Medicinal Chemistry Hydatid Disease: Current Status of Chemotherapy and Drug Delivery Systems
Current Drug Therapy Relevance of Protein Isoforms in Proteomic Studies
Current Proteomics Lipid Nanocarriers and Molecular Targets for Malaria Chemotherapy
Current Drug Targets Machine Intelligence Techniques for the Identification and Diagnosis of COVID-19
Current Medicinal Chemistry Screening of Antioxidant, Antimicrobial Activities and Chemical Contents of Edible Mushrooms Wildly Grown in the Black Sea Region of Turkey
Combinatorial Chemistry & High Throughput Screening Preparation of Quercetin Loaded Microparticles and their Antitumor Activity against Human Lung Cancer Cells (A549) in vitro
Current Pharmaceutical Biotechnology Fluorescent Cisplatin Analogues and Cytotoxic Activity
Current Medicinal Chemistry A Comprehensive Proteomic Study of the Skin Secretions of the Frog Lithobates spectabilis
Protein & Peptide Letters Charge Deficient Analogues of the Natural Polyamines
Current Pharmaceutical Design High Throughput Study for Molecular Mechanism of Metformin Pre-Diabetic Protection <i>via</i> Microarray Approach
Endocrine, Metabolic & Immune Disorders - Drug Targets