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““The Value of Dereplications in The Value of Dereplications in Understanding the Worth of Understanding the Worth of Traditional Pharmacopeias Traditional Pharmacopeias

2014”.2014”.

Memory Elvin-Lewis, Ph.D., D.Sc.Memory Elvin-Lewis, Ph.D., D.Sc.Professor of Biomedicine in Microbiology and EthnobotanyProfessor of Biomedicine in Microbiology and Ethnobotany

Adjunct Professor of BiologyAdjunct Professor of BiologyWashington University, St. Louis, MOWashington University, St. Louis, MO

elvin@biology.wustl.eduelvin@biology.wustl.edu

AJTCAM (2011) 8(S):13-26; J Ethnopharmacology (2012) 140(3).

Where can ethnomedical Where can ethnomedical information be found?information be found?

Where primary data is still available among populations where knowledge remains as exclusive know-how and must be protected to ensure optimal benefit.

From secondary sources in the public domain.

What is an herbal remedy/ botanical?What is an herbal remedy/ botanical? Traditional or serendipitous Varies in formulation & preparation Unreliable as to plant identification Not medically validated as to efficacy Varies in dosage and treatment regimens Potency and toxicity frequently moderate May contain many ubiquitous bioreactive compounds If one plant may be evolved through chemo-

fingerprinting into a standardized phytopharmaceutical Few medicinal plants possess a compound unique and

potent enough to merit pharmaceutical development.

The value of medical primary The value of medical primary ethnobotanical dataethnobotanical data

Depends upon the expertise of those collecting the information?– With sufficient knowledge of the regional flora, local languages &

medical systems?– With an understanding of the nature and epidemiology of important

regional diseases?– With the ability to review available secondary data to help them identify

the uniqueness of the information they are collecting?– With an understanding that ethical issues related to protecting traditional

knowledge, benefit sharing and national genetic resources must be considered.

– According to the recently evolved Nagoya protocol in 2010 eliciting prior informed consent and obtaining consensus on access to benefits resulting from subsequent use is now international law. Its objective is to ensure the fair and equitable sharing of benefits arising from the utilization of genetic resources, thereby contributing to the conservation and sustainable use of biodiversity. It is an extension of the Convention of Biodiversity Treaty of 1992. Unlike the vast majority of nations the US has ratified but not as yet signed this treaty.

Critical Data RequiredCritical Data Required• Botanical:

• Vouchered specimens for appropriate botanical identification • Details of how the plants are collected, appropriately

processed or used.• Information on the nature of the remedy, if plants are used

alone, sequentially or as a mixed formulation.• What are favored substitutions and why.

• Medical: • If there are preferences of one plant remedy over another• What are the parameters of safety and efficacy• Which remedies, pivotal to the health and well being of the

population serve the needs of treating diseases of local or regional importance.

• Utilization of secondary data:• To determine any novelty of these data• To prevent duplication of studies already conducted

Is the investigation of a pharmacopeia Is the investigation of a pharmacopeia justified from what is already known? justified from what is already known?

Is there a local, regional, global need? Does anecdotal information suggest that there

are remedies worthy of study? Might they be exclusive?

Is there scientific evidence to suggest that regional plants have a therapeutic potential?

Have therapeutic agents already been derived from local taxa?

What methods in the field and laboratory can further What methods in the field and laboratory can further

optimize a pharmacopeias’ therapeutic valueoptimize a pharmacopeias’ therapeutic value Ethnomedical focusing: popularity in regional or cosmopolitan

sense, provides safety and efficacy clues which can be affirmed by identifying specific bioreactivies and conducting appropriate allopathic verifications.

Conventional medical verification in the context of use can identify the parameters of use as well as the appropriate formulation when taken as a botanical.

By their Phylogenetic amplification: related plant taxa, disease entities and/or their etiological taxa can share common denominators related to bioreactive composition or drug sensitivities.

Types of Dereplication DatabasesTypes of Dereplication DatabasesFree and For FeeFree and For Fee

• Ethnobotanical

• Botanical

• Biomedical/Pharmacognosy

• Clinical Studies

• Chemical and Patent

What are secondary sources of What are secondary sources of botanically derived ethnomedical data?botanically derived ethnomedical data?

• Herbals, floras, pharmacopoeias, herbarium sheets, theses, dissertations, books, published pamphlets, poster presentations, verbal presentations, electronic data bases, internet sources etc.

• Information in local languages can limit its access.

• Indexing of some of this information may be lacking.

Value of Ethnobotanical/Ethnomedical Value of Ethnobotanical/Ethnomedical DatabasesDatabases

• For identifying a remedy’s:– Possible ethnic specificity– Derivation: local, regional or widespread– Formula variability:

• If used as one plant or in a mixture• If used for one purpose or many

– Clues to its medicinal value.– Worthiness for further investigations?

• For identifying alternate sourcing of bioreactive molecules by finding related taxa with similar medicinal uses worldwide e.g., Taxus brevifolia for paclitaxel (taxol) and related baccitins from T. walachiana and T. baccata.

• Identifying related taxa used to treat diseases caused by related etiological agents e.g., malaria and apicoplexan protozoa causing AIDS-associated diseases such as Cryptosporidium.

Ethnobotanical Data BasesEthnobotanical Data BasesNingthoujam et al, 2012. Review. Challenges in developing medicinal plant databases for sharing Ningthoujam et al, 2012. Review. Challenges in developing medicinal plant databases for sharing

ethnopharmacological knowledge. J. Ethnopharmacology. 141: 9-32ethnopharmacological knowledge. J. Ethnopharmacology. 141: 9-32• Free

– Worldwide: EthnobotDB, ETHMED, HERBMED, Plants for a future, SEPASAL– Regional: SW and SE U.S.A., Peruvian Amazon, Africa (Prelude, PROTA), SE Asia, USDA Plants

Database.– National: Argentina, Australia, Bangladesh, Brazil, Brunei Dusan, Belgium, Canada, China, Denmark,

England, Estonia, France, Germany, Hawaii, India, Indonesia, Japan, Latin America and the Caribbean, Madagascar, Malaysia, Malta, Myanmar, Nepal, Papua New Guinea, Portugal, The Netherlands, Samoa, Singapore, South Africa, South Korea, Spain, Russia, Thailand, Tibet, Turkey, USA.

– Ethnic Groups: Australian Aboriginal, Canada- Gwich’in, First Nations, Maya, Quijos-Quichua, Moari-Nga Tipu Whakaoranga, Oceania- Bishop Museum Hawaii.

– US. Government: ARICOLA, IBIDS, USPTO, Duke’s phytochemical and ethnobotanical database– American Academy of Science: TEK*PAD

• For Fee, Membership, ebooks and CD Rom

– Regional: AfricaAfrica (AHA), Asia PacificAsia Pacific (AHEAD), Caribbean & Latin AmericaCaribbean & Latin America (TRAMIL), FranceFrance (PASCAL, PLANTES MEDICINALES), KoreaKorea (TRADIMED), United KingdomUnited Kingdom (CABI medicinal plant, Hom-Inform, Green Medicine (Chinese Herbal Medicine), USAUSA (HerbMedPro, Biosis Previews, MANTIS, HERBALIST, TCM & Pharmacology).

Chinese Data Bases: TCMChinese Data Bases: TCMBarlow et al. 2012. In-silico studies in Chinese herbal medicines’ research: Evaluation of in-silico methodologies and Barlow et al. 2012. In-silico studies in Chinese herbal medicines’ research: Evaluation of in-silico methodologies and

phytochemical data sources, and a review of research to date. J. Ethnopharmacology 140: 520-534; Tai-Ping et al., 2012. phytochemical data sources, and a review of research to date. J. Ethnopharmacology 140: 520-534; Tai-Ping et al., 2012. Future Development of global regulations of Chinese herbal products. J. Ethnopharmacology 140(3)56-586; Ouedraogo,M. et al. Future Development of global regulations of Chinese herbal products. J. Ethnopharmacology 140(3)56-586; Ouedraogo,M. et al. 2012. Review of current and “omics” methods for assessing the toxicity, teratogenicity and nephrotoxicity of herbal medicines and 2012. Review of current and “omics” methods for assessing the toxicity, teratogenicity and nephrotoxicity of herbal medicines and

mushrooms. 140(3): 49-512; Buriani A et al., 2012. Omic techniques in systems biology approaches to traditional Chinese mushrooms. 140(3): 49-512; Buriani A et al., 2012. Omic techniques in systems biology approaches to traditional Chinese medicine researc: Present and future. J. Ethnophamracology 140(3) 53-544; Pelkonen O et al., 2012. Omics and its potential medicine researc: Present and future. J. Ethnophamracology 140(3) 53-544; Pelkonen O et al., 2012. Omics and its potential

impact on R&D and regulation of complex herbal products. J. Ethnopharmacologyh 140 (3) 58-593impact on R&D and regulation of complex herbal products. J. Ethnopharmacologyh 140 (3) 58-593

• TCM Database@Taiwan http://tcm.cmu.edu.tw/review.php?menuid=3

• China Natural Products Data Base (CNPD) htpp://www.neotrident.com

• 3D Structure Database of Components

from Chinese Herbs.

• Comprehensive Herbal Medicine Information http://sw16.im.med.umich.edu/chmis-c/

System for Cancer (CHMIS-C)

• Chinese herbal constituents database http://www.chemtcm.com/(CHCD) and Bioactive compounds (BPCD)

• Dictionary of Chinese Herbs http://Alaternativehealing.org/Chinese.herbs.

dictionary. Htm

• Traditional Chinese Medicine Information http://tcm.cz3.nus.edu.sg/group/tcmid/tcmid.asp

Database (TCM-ID)

• Traditional Chinese Medicine Integrated http://www.mgegbionet.org/tcmid/

Database

• TCMGeneDIT http://tcm.lifescience.ntu.edu.tw/

• TCM Knowledge Based Grid (Tibet) http://.www.cintem.com

• PhytochemDB http://ukcrop.net/perl/ace/search/PhytochemDB

Botanical DereplicationBotanical Dereplication

• Understanding the nature of a traditional pharmacopeias through access to professional resources:– Identifying known and related taxa and their

correct names.– Appreciating their distribution patterns.– Identifying unknown taxa and having these

determined by experts knowledgeable of the family and/or genus.

Botanical Databases and Other SourcesBotanical Databases and Other Sources

• Reference to professional botanical literature for relevant check lists, floras, and monographs can provide baseline data.

• Reference to local or national herbaria is essential to understanding the distribution of taxa within a nation and adjacent countries.

• Large herbaria of about 5-9 million collections have comprehensive worldwide and specialty collections:

• Conservatoaire et Jardin Botaniques de la Ville de Genève (Switzerland).• Harvard University Herbaria (Cambridge Mass., USA)• Komarov Herbarium (St Petersburg, Russia)• Missouri Botanical Garden: Tropicos (St. Louis, MO, USA)• Muséum National d’Histoire Naturelle (Paris, France)• Nationaal Herbarium Nederland (Leiden, The Netherlands)• National History Museum (London, England)• NY Botanic Garden’s CV Starr Virtual Herbarium (New York City, NY, USA).• Royal Botanic Gardens, Kew (London, England)• Smithsonian National Museum of Natural History (Washington, DC, (USA)

• Reference to the International Plant Names Index (www.ipni.org/)

Pharmacognosy and Biomedical Pharmacognosy and Biomedical DereplicationsDereplications

• Identifying bioreactive phytochemicals:– Depends upon biodirected isolation techniques used.

• Broad screening assays, using functional screens are unlikely to provide as many bioreactive compounds as those identified from ethnomedically targeted plants matched to specific mechanistic assays.

– Compounds may be novel or ubiquitous, complex or simple, have single activity or multiple activities.

– May represent a family of related bioreactive compounds or isomers.

– Identifying additional studies associated with range of bioreactivity potentials.

– Identifying related semi-synthetic molecules with improved solubility, lowered toxicity, increased efficacy and/or additional medicinal uses.

Major Website/URL Addresses on Major Website/URL Addresses on Biomedical/Pharmacognosy Subjects.Biomedical/Pharmacognosy Subjects.

Free:• NIH: PubmedNIH: Pubmed: 1959-present over 24 million references from 5,000 journals, Pubchem:

structure search• Pharmacognosy networkPharmacognosy network: Caspur, DOAJ, google Scholar, Indix Copernicus,

OpenJGate, Primo Central,SCOLAR, SIIC, Summon by Serial Solutions, & Ulrich’s International Periodical Directory, Dictionary of Natural Products, NuBBEdb (Brazil).

• UnpublishedUnpublished theses and dissertations on pharmacognosy

By subscription but free to users:• EBSCO, Excerpta Medica/EMBASE over 28 million citations, Natural Standard

ProQuest, Reaxys Medicinal Chemistry, PharmaPendium, SCOPUS, Web of Science / Web of Knowledge.

For Fee:• Qigong DatabaseQigong Database• NAtural PRoducts ALERT (NAPRALERT)NAtural PRoducts ALERT (NAPRALERT)

TargetingTargetingSheridan et al., 2012. The potential of metabolic fingerprinting as a tool for the modernisation of TCM preparations. J. Sheridan et al., 2012. The potential of metabolic fingerprinting as a tool for the modernisation of TCM preparations. J.

Ethnopharmacology 140(3) 48-91Ethnopharmacology 140(3) 48-91

• Therapeutic Target Database (TTD) http://xin.cz3.nus.edu.sg/group/ttd/ttd.asp

• Potential Drug Target Database(PDTD)

http://www.dddc.ac.cn/pdtd/

• Protein Data Bank

http://www.rcsb.org/pdb

• Metabolite-Plant Species Database:

KNApSAcK

• Metabolomics Japan Wiki with Kampo Medicine: http://metabolomics.jp/wiki/Main_Page

Clinical Aspects: Clinical Aspects: Free URL or Website AddressesFree URL or Website Addresses

• CUGH (Consortium of Universities for Global Health )• CenterWatch (Global Search for Clinical Trials Information)• Cochran Library Central Collaboration (An international network of more than 28,000 dedicated

people from over 100 countries who utilize the best available research evidence to prepare, update and promote the Cochran Reviews so as to help health care providers, policy-makers, patients, their advocates and care-givers to make well-informed decisions about health care).

• Cochran CAM Field (Focusing on Complementary Medicine)• U.S. Government

• NCCAM (National Center for Complementary and Alternative Medicine)• CRISP (Computer Retrieval of Information on Scientific Projects funded by NIH)• NLM (National Library of Medicine – world’s largest medical library)• FDA Poisonous Plant Database• PUBMED (Biomedical Literature from Medline)• TOXNET (Environmental Health & Toxicology)• ClinVar, MedGen ( National Center for Biotechnology Information)• OMIM (Mendilian Inheritance in Man)

• United Kingdom• Bandolier (Evidence-based Thinking about Health Care- Research & Clinical Trials)• CISCOM (Centralized Information Service for Complementary Medicine-Therapies and

Clinical Trials)• Germany

• DATADIWAN (Holistic Medicine and Frontier Sciences-Patient Information for Natural Therapies)

Clinical Studies: For Fee or CD-ROMClinical Studies: For Fee or CD-ROM

• ACUBSE: Bibliothèque Univesitatire de Médicine de Nimes (17,000 French, English and TCM references).

• AltHealthWatch of EBSCO• AMED (British Library Health Care Information

Service: Allied and Complementary Medicine Data Base• Natural Standard

• Poisonous Plants in Britain and Ireland (CD-ROM)

Bioreactive Compounds in Bioreactive Compounds in Medicinal PlantsMedicinal Plants

Can vary in both quantity and quality depending on: chemotype environmental factors (soil, climate, etc.) plant part methods of collection preparation storage.

Chemical and Patent DatabasesChemical and Patent Databases

• Supernatural: a searchable database of available natural compounds • Chapman and Hall/CRC Chemical Database: represents the complete

text of several chemical dictionaries from Chapman and Hall. CHCD is a source database of chemical identification, physical-chemical properties, use, hazard, and key reference data to the world's more important chemical substances

• ChemnetBase: a structured database holding information on chemical substances.

• STN:CAS' STN databases offer the largest collection and depth of chemical and related information compared to other commercial web based databases. In addition, CAS is the only company that has a unique, proprietary, chemical structure searching capability using its STN Express software. No other source can successfully meet the United States Patent and Trademark Office requirements.

• BNPD (Bioactive Natural Products Database): A free comprehensive database on natural products

• WIPO : Provides access to online intellectual property databases hosted by the World Intellectual Property Organization and member states.

• WTMPO: World Traditional Natural Medicine Patent Database• China TCM Patent Database: Covers bibliographic data related to TCM

1985-present

ConclusionsConclusions• Numerous data bases are available to adequately

understand a pharmacopeia’s worth in terms of: • The degree of its exclusivity in terms of traditional knowledge, the plants that

are used and the bioreactive compounds which have been found.• The distribution of these medicinal plants regionally and worldwide.• By applying techniques of phylogenetic amplification to satisfy sourcing

needs of a particular compound or its allies, or by identifying new target diseases with cross sensitivities

• Through appropriate clinical evaluations the therapeutic potential as botanicals.

• The identification of bioreactive compounds, their relationship to others known to nature or chemically derived.

• Their therapeutic potential as phytopharmaceuticals or pharmaceuticals.• Knowledge of how these have been incorporated into various forms of

patents.• How new technologies like “omics” and “in silico” can be applied to

understanding the safety and worth of polyherbal remedies.

With Thanks With Thanks

• With the context of the original 2011 article:– Dr. Walter Lewis for providing unpublished preliminary data elicited in our laboratories.

– To the NIAID Screening Labs

• John Gerin: Viral hepatitis, Georgetown University

• Saul Pzipori: Cryptosporidium, Tufts

• Fausto Araui: Toxoplasma, Palo Alto Medical Foundation– Dr. J. Cardellina: NCI-AIDS, Fort Dietrick

– Drs. Edward Kennelly, Lehman College SUNY; Steve Caspar, FDA; Robert McGill, Missouri Botanical Garden for providing valuable insights in the evolution of the paper.

• To Washington University Librarians, 2014:– Angela Hardia, Clinical Resources Librarian, WUSM

– Lauren Todd, Engineering Subject Librarian in the Department of Chemistry

Let Us Meet AgainLet Us Meet Again

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