CyanoMetDB, a comprehensive public database of secondary metabolites from cyanobacteria

IF 11.4 1区环境科学与生态学 Q1 ENGINEERING, ENVIRONMENTAL Water Research Pub Date : 2021-05-15 DOI:10.1016/j.watres.2021.117017

Martin R. Jones , Ernani Pinto , Mariana A. Torres , Fabiane Dörr , Hanna Mazur-Marzec , Karolina Szubert , Luciana Tartaglione , Carmela Dell'Aversano , Christopher O. Miles , Daniel G. Beach , Pearse McCarron , Kaarina Sivonen , David P. Fewer , Jouni Jokela , Elisabeth M.-L. Janssen

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引用次数: 105

Abstract

Harmful cyanobacterial blooms, which frequently contain toxic secondary metabolites, are reported in aquatic environments around the world. More than two thousand cyanobacterial secondary metabolites have been reported from diverse sources over the past fifty years. A comprehensive, publically-accessible database detailing these secondary metabolites would facilitate research into their occurrence, functions and toxicological risks. To address this need we created CyanoMetDB, a highly curated, flat-file, openly-accessible database of cyanobacterial secondary metabolites collated from 850 peer-reviewed articles published between 1967 and 2020. CyanoMetDB contains 2010 cyanobacterial metabolites and 99 structurally related compounds. This has nearly doubled the number of entries with complete literature metadata and structural composition information compared to previously available open access databases. The dataset includes microcytsins, cyanopeptolins, other depsipeptides, anabaenopeptins, microginins, aeruginosins, cyclamides, cryptophycins, saxitoxins, spumigins, microviridins, and anatoxins among other metabolite classes. A comprehensive database dedicated to cyanobacterial secondary metabolites facilitates: (1) the detection and dereplication of known cyanobacterial toxins and secondary metabolites; (2) the identification of novel natural products from cyanobacteria; (3) research on biosynthesis of cyanobacterial secondary metabolites, including substructure searches; and (4) the investigation of their abundance, persistence, and toxicity in natural environments.

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CyanoMetDB，蓝藻次级代谢物的综合公共数据库

有害的蓝藻华，往往含有有毒的次生代谢物，据报道在世界各地的水生环境。在过去的五十年里，从不同的来源报道了两千多种蓝藻次生代谢物。一个详细介绍这些次生代谢物的全面、可公开访问的数据库将促进对其发生、功能和毒理学风险的研究。为了满足这一需求，我们创建了CyanoMetDB，这是一个高度管理、平面文件、开放访问的蓝藻次级代谢物数据库，整理了1967年至2020年间发表的850篇同行评审文章。CyanoMetDB含有2010种蓝藻代谢产物和99种结构相关化合物。与以前可用的开放存取数据库相比，这几乎使具有完整文献元数据和结构组成信息的条目数量增加了一倍。该数据集包括微细胞毒素，cyanopeptolins，其他沉积肽，anabaenopeptin, microginins, aeruginosins, cyclamides, cryptophyins, saxitoxins, spumigins, microviridinins, anatoxins等代谢物。一个全面的数据库致力于蓝藻次生代谢物促进:(1)已知的蓝藻毒素和次生代谢物的检测和去复制;(2)从蓝藻中鉴定新的天然产物;(3)蓝藻次级代谢物的生物合成研究，包括亚结构搜索;(4)研究它们在自然环境中的丰度、持久性和毒性。

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来源期刊

Water Research 环境科学-工程：环境

CiteScore

20.80

自引率

9.40%

发文量

1307

审稿时长

38 days

期刊介绍： Water Research, along with its open access companion journal Water Research X, serves as a platform for publishing original research papers covering various aspects of the science and technology related to the anthropogenic water cycle, water quality, and its management worldwide. The audience targeted by the journal comprises biologists, chemical engineers, chemists, civil engineers, environmental engineers, limnologists, and microbiologists. The scope of the journal include: •Treatment processes for water and wastewaters (municipal, agricultural, industrial, and on-site treatment), including resource recovery and residuals management; •Urban hydrology including sewer systems, stormwater management, and green infrastructure; •Drinking water treatment and distribution; •Potable and non-potable water reuse; •Sanitation, public health, and risk assessment; •Anaerobic digestion, solid and hazardous waste management, including source characterization and the effects and control of leachates and gaseous emissions; •Contaminants (chemical, microbial, anthropogenic particles such as nanoparticles or microplastics) and related water quality sensing, monitoring, fate, and assessment; •Anthropogenic impacts on inland, tidal, coastal and urban waters, focusing on surface and ground waters, and point and non-point sources of pollution; •Environmental restoration, linked to surface water, groundwater and groundwater remediation; •Analysis of the interfaces between sediments and water, and between water and atmosphere, focusing specifically on anthropogenic impacts; •Mathematical modelling, systems analysis, machine learning, and beneficial use of big data related to the anthropogenic water cycle; •Socio-economic, policy, and regulations studies.