COCONUT online: Collection of Open Natural Products database

被引：289

作者：

Sorokina, Maria ^{[1
]}

Merseburger, Peter ^{[1
]}

Rajan, Kohulan ^{[1
]}

Yirik, Mehmet Aziz ^{[1
]}

Steinbeck, Christoph ^{[1
]}

机构：

[1] Univ Friedrich Schiller, Inst Inorgan & Analyt Chem, Lessing Str 8, D-07743 Jena, Germany

来源：

JOURNAL OF CHEMINFORMATICS | 2021年 / 13卷 / 01期

关键词：

Natural products; Database; NoSQL; MongoDB; Molecular similarity search; Molecular substructure search; RESOURCE; PHYTOCHEMICALS; INFORMATION; DISCOVERY;

D O I：

10.1186/s13321-020-00478-9

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Natural products (NPs) are small molecules produced by living organisms with potential applications in pharmacology and other industries as many of them are bioactive. This potential raised great interest in NP research around the world and in different application fields, therefore, over the years a multiplication of generalistic and thematic NP databases has been observed. However, there is, at this moment, no online resource regrouping all known NPs in just one place, which would greatly simplify NPs research and allow computational screening and other in silico applications. In this manuscript we present the online version of the COlleCtion of Open Natural prodUcTs (COCONUT): an aggregated dataset of elucidated and predicted NPs collected from open sources and a web interface to browse, search and easily and quickly download NPs. COCONUT web is freely available at .

引用

页数：13

共 61 条

[1] BIOFACQUIM: A Mexican Compound Database of Natural Products [J].

Angelica Pilon-Jimenez, B. ;

Saldivar-Gonzalez, Fernanda, I ;

Diaz-Eufracio, Barbara, I ;

Medina-Franco, Jose L. .

BIOMOLECULES, 2019, 9 (01)

[2]

[Anonymous], ANALYTICON DISCOVERY

[3]

[Anonymous], 2014, DATABASE, DOI DOI 10.1093/DATABASE/BAU055

[4]

[Anonymous], **DATA OBJECT**

[5] Super Natural II-a database of natural products [J].

Banerjee, Priyanka ;

Erehman, Jevgeni ;

Gohlke, Bjoern-Oliver ;

Wilhelm, Thomas ;

Preissner, Robert ;

Dunkel, Mathias .

NUCLEIC ACIDS RESEARCH, 2015, 43 (D1) :D935-D939

[6] The properties of known drugs .1. Molecular frameworks [J].

Bemis, GW ;

Murcko, MA .

JOURNAL OF MEDICINAL CHEMISTRY, 1996, 39 (15) :2887-2893

[7] An open source chemical structure curation pipeline using RDKit [J].

Bento, A. Patricia ;

Hersey, Anne ;

Felix, Eloy ;

Landrum, Greg ;

Gaulton, Anna ;

Atkinson, Francis ;

Bellis, Louisa J. ;

De Veij, Marleen ;

Leach, Andrew R. .

JOURNAL OF CHEMINFORMATICS, 2020, 12 (01)

[8] ETM-DB: integrated Ethiopian traditional herbal medicine and phytochemicals database [J].

Bultum, Lemessa Etana ;

Woyessa, Assefa Mussa ;

Lee, Doheon .

BMC COMPLEMENTARY AND ALTERNATIVE MEDICINE, 2019, 19 (01)

[9] Fragment Library of Natural Products and Compound Databases for Drug Discovery [J].

Chavez-Hernandez, Ana L. ;

Sanchez-Cruz, Norberto ;

Medina-Franco, Jose L. .

BIOMOLECULES, 2020, 10 (11) :1-16

[10] A Fragment Library of Natural Products and its Comparative Chemoinformatic Characterization [J].

Chavez-Hernandez, Ana L. ;

Sanchez-Cruz, Norberto ;

Medina-Franco, Jose L. .

MOLECULAR INFORMATICS, 2020, 39 (11)

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