Abstract

BackgroundRecently, there has been an increasing tendency to go back to nature in search of new medicines. To facilitate this, a great deal of effort has been made to compile information on natural products worldwide, and as a result, many ethnic-based traditional medicine databases have been developed. In Ethiopia, there are more than 80 ethnic groups, each having their indigenous knowledge on the use of traditional medicine. About 80% of the population uses traditional medicine for primary health care. Despite this, there is no structured online database for Ethiopian traditional medicine, which limits natural products based drug discovery researches using natural products from this country.DescriptionTo develop ETM-DB, online research articles, theses, books, and public databases containing Ethiopian herbal medicine and phytochemicals information were searched. These resources were thoroughly inspected and the necessary data were extracted. Then, we developed a comprehensive online relational database which contains information on 1054 Ethiopian medicinal herbs with 1465 traditional therapeutic uses, 573 multi-herb prescriptions, 4285 compounds, 11,621 human target gene/proteins, covering 5779 herb-phenotype, 1879 prescription-herb, 16,426 herb-compound, 105,202 compound-phenotype, 162,632 compound-gene/protein, and 16,584 phenotype-gene/protein relationships. Using various cheminformatics tools, we obtained predicted physicochemical and absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties of ETM-DB compounds. We also evaluated drug-likeness properties of these compounds using FAF-Drugs4 webserver. From the 4285 compounds, 4080 of them passed the FAF-Drugs4 input data curation stage, of which 876 were found to have acceptable drug-likeness properties.ConclusionETM-DB is the largest, freely accessible, web-based integrated resource on Ethiopian traditional medicine. It provides traditional herbal medicine entities and their relationships in well-structured forms including reference to the sources. The ETM-DB website interface allows users to search the entities using various options provided by the search menu. We hope that our database will expedite drug discovery and development researches from Ethiopian natural products as it contains information on the chemical composition and related human target gene/proteins. The current version of ETM-DB is openly accessible at http://biosoft.kaist.ac.kr/etm.

Highlights

  • There has been an increasing tendency to go back to nature in search of new medicines

  • Natural products (NPs) and natural product structures continue to play a significant role in the drug discovery and development process

  • Natural products have been utilized as traditional medicine since ancient times

Read more

Summary

Conclusion

Natural products have been utilized as traditional medicine since ancient times. It is evident that many modern drugs have been derived or inspired from NPs [47]. ETM-DB provides interrelationships among these entities (herbs, prescriptions, phenotypes, compounds, and gene/proteins) with references to the original sources. It contains chemical classification, predicted physicochemical and ADMET properties of the compounds, which were obtained using various cheminformatics tools. We have evaluated drug-likeness of the compounds using FAF-Drugs webserver and found that 876 compounds have acceptable drug-likeness properties This indicates the immense potential of Ethiopian herbs for drug discovery and development. Abbreviations 2D: two-dimensional; 3D: three-dimensional; ADMET: absorption, distribution, metabolism, excretion, and toxicity; admetSAR: ADMET structure-activity relationship; AfroDB: a Select Highly Potent and Diverse Natural Product Library from African Medicinal Plants; BBB: Blood-brain barrier; BFN: Bio-Food Network; CamMedNP: Building the Cameroonian 3D structural natural products database for virtual screening; CEMTDD: Chinese Ethnic Minority Traditional Drug Database; COCONUT: Compound Combination-Oriented Natural Product Database with Unified Terminology; ConMedNP: A natural product library from Central African medicinal plants for drug discovery; CTD: Comparative Toxicogenomics Database; DCDB: Drug Combination Database; ETM-DB: Integrated Ethiopian Traditional Herbal Medicine and Phytochemicals Database; FAF-Drugs: free ADME-tox filtering computations for chemical biology and early stages drug discovery; FDA: US Food and Drug Administration; FooDB: The Food Database; HIA: Human intestinal absorption; hERG: a human Ether-a-go-go-Related Gene; ID: Identifier; IMPPAT: A curated database of Indian Medicinal Plants, Phytochemistry And Therapeutics; InChI: International Chemical Identifier; JSME: a free molecule editor in JavaScript; JSmol: an open source molecule viewer in JavaScript; KNApSAcK: A Comprehensive Species-Metabolite Relationship Database; KTKP: Korean Traditional Knowledge Portal; MATADOR: Manually Annotated Targets and Drugs Online Resource; NANPDB: A Resource for Natural Products from Northern African Sources; NAPRALERT: Natural Products Alert; NCBI: National Center for Biotechnology Information; NDA: Natural Products Database for Africa; NER: Named Entity Recognition; NP: Natural product; ODDT: Open Drug Discovery Toolkit; p-ANAPL: Pan-African Natural Products Library; SANCDB: South African natural compound database; SDF: Structure Data File; SIDER: Side Effect Resource; SMILES: Simplified Molecular Input Line Entry System; STITCH: Search tool for interactions of chemicals; TCAM: traditional, complementary and alternative medicine; TCM: Traditional Chinese Medicine; TCM-ID: Traditional Chinese Medicine Information Database; TCMID: Traditional Chinese Medicine Integrative Database; TM-MC: A database of medicinal materials and chemical compounds in Northeast Asian traditional medicine; TPSA: Topological polar surface area; TTD: Therapeutic Target Database; UMLS: Unified Medical Language System; XLogP: Octanol/Water partition coefficient

Background
Utility and discussion
Findings
31. COCONUT
Full Text
Published version (Free)

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call