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SANCDB: a South African Natural Compound Database

Overview
Journal J Cheminform
Publisher Biomed Central
Specialty Chemistry
Date 2015 Jun 23
PMID 26097510
Citations 33
Authors
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Abstract

Background: Natural products (NPs) are important to the drug discovery process. NP research efforts are expanding world-wide and South Africa is no exception to this. While freely-accessible small molecule databases, containing compounds isolated from indigenous sources, have been established in a number of other countries, there is currently no such online database in South Africa.

Description: The current research presents a South African natural compound database, named SANCDB. This is a curated and fully-referenced database containing compound information for 600 natural products extracted directly from journal articles, book chapters and theses. There is a web interface to the database, which is simple and easy to use, while allowing for compounds to be searched by a number of different criteria. Being fully referenced, each compound page contains links to the original referenced work from which the information was obtained. Further, the website provides a submission pipeline, allowing researchers to deposit compounds from their own research into the database.

Conclusions: SANCDB is currently the only web-based NP database in Africa. It aims to provide a useful resource for the in silico screening of South African NPs for drug discovery purposes. The database is supported by a submission pipeline to allow growth by entries from researchers. As such, we currently present SANCDB the starting point of a platform for a community-driven, curated database to further natural products research in South Africa. SANCDB is freely available at https://sancdb.rubi.ru.ac.za/.

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References
1.
Qiao X, Hou T, Zhang W, Guo S, Xu X . A 3D structure database of components from Chinese traditional medicinal herbs. J Chem Inf Comput Sci. 2002; 42(3):481-9. DOI: 10.1021/ci010113h. View

2.
Griffiths C, Robinson T, Lange L, Mead A . Marine biodiversity in South Africa: an evaluation of current states of knowledge. PLoS One. 2010; 5(8):e12008. PMC: 2914023. DOI: 10.1371/journal.pone.0012008. View

3.
Bienfait B, Ertl P . JSME: a free molecule editor in JavaScript. J Cheminform. 2013; 5:24. PMC: 3662632. DOI: 10.1186/1758-2946-5-24. View

4.
Tetko I, Gasteiger J, Todeschini R, Mauri A, Livingstone D, Ertl P . Virtual computational chemistry laboratory--design and description. J Comput Aided Mol Des. 2005; 19(6):453-63. DOI: 10.1007/s10822-005-8694-y. View

5.
Irwin J, Shoichet B . ZINC--a free database of commercially available compounds for virtual screening. J Chem Inf Model. 2005; 45(1):177-82. PMC: 1360656. DOI: 10.1021/ci049714+. View