Jones Martin R, Pinto Ernani, Torres Mariana A, Dörr Fabiane, Mazur-Marzec Hanna, Szubert Karolina, Tartaglione Luciana, Dell'Aversano Carmela, Miles Christopher O, Beach Daniel G, McCarron Pearse, Sivonen Kaarina, Fewer David P, Jokela Jouni, Janssen Elisabeth M-L
Department of Environmental Chemistry, Swiss Federal Institute of Aquatic Science and Technology (Eawag), 8600 Duebendorf, Switzerland.
Centre for Nuclear Energy in Agriculture, University of São Paulo, CEP 13418-260 Piracicaba, SP, Brazil.
Water Res. 2021 May 15;196:117017. doi: 10.1016/j.watres.2021.117017. Epub 2021 Mar 8.
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.
有害蓝藻水华在世界各地的水生环境中均有报道，这些水华通常含有有毒的次生代谢产物。在过去五十年里，已从不同来源报道了两千多种蓝藻次生代谢产物。一个详细记录这些次生代谢产物的全面且可公开访问的数据库将有助于对其发生情况、功能和毒理学风险进行研究。为满足这一需求，我们创建了蓝藻代谢物数据库（CyanoMetDB），这是一个经过高度整理的平面文件数据库，可公开访问，它汇集了1967年至2020年间发表的850篇同行评审文章中的蓝藻次生代谢产物。蓝藻代谢物数据库包含2010种蓝藻代谢产物和99种结构相关化合物。与之前可用的开放获取数据库相比，具有完整文献元数据和结构组成信息的条目数量几乎增加了一倍。该数据集包括微囊藻毒素、蓝肽、其他缩肽、鱼腥藻肽、微藻毒素、铜绿假单胞菌毒素、环酰胺、隐藻素、石房蛤毒素、浮沫菌素、微绿肽和类毒素等其他代谢物类别。一个专门针对蓝藻次生代谢产物的综合数据库有助于：（1）检测和去除已知的蓝藻毒素和次生代谢产物；（2）鉴定来自蓝藻的新型天然产物；（3）研究蓝藻次生代谢产物的生物合成，包括亚结构搜索；以及（4）调查它们在自然环境中的丰度、持久性和毒性。
