Seaweed metabolite database (SWMD): A database of natural compounds from marine algae

Abstract

The cataloguing of marine chemicals is a fundamental aspect for bioprospecting. This has applications in the development of drugs from marine sources. A publicly accessible database that provides comprehensive information about these compounds is therefore helpful. The Seaweed Metabolite Database (SWMD) is designed to provide information about the known compounds and their biological activity described in the literature. Geographical origin of the seaweed, extraction method and the chemical descriptors of each the compounds are recorded to enable effective chemo-informatics analysis. Crosslinks to other databases are also introduced to facilitate the access of information about 3D Structure by X-ray and NMR activity, drug properties and related literature for each compound. This database currently contains entries for 517 compounds encompassing 25 descriptive fields mostly from the Red algae of the genus Laurencia (Ceramiales, Rhodomelaceae). The customized search engine of this database will enable wildcard querying, which includes Accession Number, Compound type, Seaweed Binomial name, IUPAC name, SMILES notation or InChI.AvailabilityThe database is available for free at http://www.swmd.co.in

New drugs with antiprotozoal activity from marine algae: a review

“…The search for natural compounds with pharmaceutical activity indicated marine macroalgae as promising organisms to supply novel biochemically active compounds. It is worth mentioning that an online database of compounds, including secondary metabolites, from macroalgae (predominantly from red algae) is available (Davis and Vasanthi, 2011). Between 2009 articles were published describing the characterization of compounds or their biological activities as antitumor, antioxidant, anti-HIV, anti-HPV, antibacterial and antiparasitic (e.g., against Plasmodium falciparum, Trichomonas vaginalis, Giardia lamblia and Entamoeba histolytica), from different species of algae throughout the world (Blunt et al, 2011;.…”

Many InChIs and quite some feat

“…In the Golm Metabolome Database [136] reference mass spectra from biologically active metabolites are quantified using GC-MS. There are many other databases [132,133,138,140,142,147,[230][231][232][233][234] The DSSTox Database Network [166,167] is a project of the US Environmental Protection Agency's National Center for Computational Toxicology. The DSSTox website provides a public forum for publishing downloadable, structure-searchable, standardized chemical structure files associated with chemical inventories or toxicity datasets of environmental relevance.…”

Free Marine Natural Products Databases for Biotechnology and Bioengineering

“…The compound databases, Seaweed Metabolite Database (SWMD), Marine Natural Compound Database (MNCD), Marine Compound Database (MCDB), and Marine Drug Discovery Database (MDDD), are described as free‐to‐use in their respective bibliography. Although, in early 2019, only the SWMD had a working website.…”

“…SWMD contains 517 entries of MNPs with 25 fields describing several characteristics of each MNP. Most compounds are from red algae of the genus Laurencia and have data on the geographical origin, extraction method, chemical descriptors of each compound, and cross‐links to other databases of interest, like PubChem and ChemSpider, allowing the user access to the related literature, 3D structure information by X‐ray and NMR, and existing drug properties.…”