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.

Availability: The database is available for free at http://www.swmd.co.in.

Keywords: Laurencia; Seaweed; bioactive compounds; chemo-informatics; database.

Figure 1

The search result page of SWMD.

Figure 2

Molecular properties of compounds in SWMD. (A) molecular weight; (B) calculated LogP; (C) violations of Lipinski's rule-of-fives; (D) hydrogen-bond donors; (E) hydrogen-bond acceptors and (F) rotatable bonds.