COCONUT online: Collection of Open Natural Products database

被引：239

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 50 条

[21] The 2022 Nucleic Acids Research database issue and the online molecular biology database collection
Rigden, Daniel J.
Fernandez, Xose M.
NUCLEIC ACIDS RESEARCH, 2022, 50 (D1) : D1 - D10
[22] The 2012 Nucleic Acids Research Database Issue and the online Molecular Biology Database Collection
Galperin, Michael Y.
Fernandez-Suarez, Xose M.
NUCLEIC ACIDS RESEARCH, 2012, 40 (D1) : D1 - D8
[23] STRATEGIES FOR DATABASE DEREPLICATION OF NATURAL-PRODUCTS
CORLEY, DG
DURLEY, RC
JOURNAL OF NATURAL PRODUCTS-LLOYDIA, 1994, 57 (11): : 1484 - 1490
[24] BIOFACQUIM: A Mexican Compound Database of Natural Products
Angelica Pilon-Jimenez, B.
Saldivar-Gonzalez, Fernanda, I
Diaz-Eufracio, Barbara, I
Medina-Franco, Jose L.
BIOMOLECULES, 2019, 9 (01)
[25] A new national antidote database: An open online service
Arvidsson, Stefan
Personne, Mark
CLINICAL TOXICOLOGY, 2015, 53 (04) : 253 - 253
[26] Organic materials database: An open-access online database for data mining
Borysov, Stanislav S.
Geilhufe, R. Matthias
Balatsky, Alexander V.
PLOS ONE, 2017, 12 (02):
[27] MICROBIOLOGICAL EVALUATION OF COCONUT AND COCONUT PRODUCTS
KAJS, TM
HAGENMAIER, R
VANDERZANT, C
MATTIL, KF
JOURNAL OF FOOD SCIENCE, 1976, 41 (02) : 352 - 356
[28] The 2010 Nucleic Acids Research Database Issue and online Database Collection: a community of data resources
Cochrane, Guy R.
Galperin, Michael Y.
NUCLEIC ACIDS RESEARCH, 2010, 38 : D1 - D4
[29] The Natural Products Atlas: An Open Access Knowledge Base for Microbial Natural Products Discovery
van Santen, Jeffrey A.
Jacob, Gregoire
Singh, Amrit Leen
Aniebok, Victor
Balunas, Marcy J.
Bunsko, Derek
Carnevale Neto, Fausto
Castano-Espriu, Laia
Chang, Chen
Clark, Trevor N.
Little, Jessica L. Cleary
Delgadillo, David A.
Dorrestein, Pieter C.
Duncan, Katherine R.
Egan, Joseph M.
Galey, Melissa M.
Haeckl, F. P. Jake
Hua, Alex
Hughes, Alison H.
Iskakova, Dasha
Khadilkar, Aswad
Lee, Jung-Ho
Lee, Sanghoon
LeGrow, Nicole
Liu, Dennis Y.
Macho, Jocelyn M.
McCaughey, Catherine S.
Medema, Marnix H.
Neupane, Ram P.
O'Donnell, Timothy J.
Paula, Jasmine S.
Sanchez, Laura M.
Shaikh, Anam F.
Soldatou, Sylvia
Terlouw, Barbara R.
Tuan Anh Tran
Valentine, Mercia
van der Hooft, Justin J. J.
Vo, Duy A.
Wang, Mingxun
Wilson, Darryl
Zink, Katherine E.
Linington, Roger G.
ACS CENTRAL SCIENCE, 2019, 5 (11) : 1824 - 1833
[30] Online data collection and database development for survey research in chemistry education
Mathew, Jacob
Grove, Nathaniel P.
Bretz, Stacey Lowery
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2006, 231

← 1 2 3 4 5 →