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曲霉次级代谢产物数据库，一个理解曲霉属次级代谢组的资源。

Aspergillus Secondary Metabolite Database, a resource to understand the Secondary metabolome of Aspergillus genus.

机构信息

Pharmacology & Toxicology Division, CSIR-Indian Institute of Chemical Technology (IICT), Uppal Road, Tarnaka, Hyderabad, 500 607, India.

National Institute of Pharmaceutical Education & Research (NIPER-Guwahati), 1st Floor, Institute of Pharmacy, Guwahati Medical College & Hospital, Narakasur Hill top, Guwahati, 781 032, India.

出版信息

Sci Rep. 2017 Aug 4;7(1):7325. doi: 10.1038/s41598-017-07436-w.

DOI:10.1038/s41598-017-07436-w
PMID:28779078
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5544713/
Abstract

Aspergillus is a genus of ubiquitous fungi that are pathologically & therapeutically important. Aspergillus Secondary Metabolites Database (A2MDB) is a curated compendium of information on Aspergillus & its secondary metabolome. A2MDB catalogs 807 unique non-redundantsecondary metabolites derived from 675 Aspergillus species. A2MDB has a compilation of 100 cellular targets of secondary metabolites, 44 secondary metabolic pathways, 150 electron and light microscopy images of various Aspergillus species. A phylogenetic representation of over 2500 strains has been provided. A2MDB presents a detailed chemical information of secondary metabolites and their mycotoxins. Molecular docking models of metabolite-target protein interactions have been put together. A2MDB also has epidemiological data representing Aspergillosis and global occurrence of Aspergillus species. Furthermore a novel classification of Aspergillosis along with 370 case reports with images, were made available. For each metabolite catalogued, external links to related databases have been provided. All this data is available on A2MDB, launched through Indian Institute of Chemical Technology, Hyderabad, India, as an open resource http://www.iictindia.org/A2MDB . We believe A2MDB is of practical relevance to the scientific community that is in pursuit of novel therapeutics.

摘要

曲霉菌是一种普遍存在的真菌属，具有重要的病理学和治疗学意义。曲霉菌次生代谢物数据库（A2MDB）是一个经过精心整理的关于曲霉菌及其次生代谢产物的信息库。A2MDB 收录了 675 种曲霉菌属中 807 种独特的非冗余次生代谢产物。A2MDB 包含了次生代谢产物的 100 个细胞靶点、44 条次生代谢途径、150 种各种曲霉菌属的电子和光学显微镜图像。提供了超过 2500 株菌株的系统发育表示。A2MDB 呈现了次生代谢物及其霉菌毒素的详细化学信息。已经组合了代谢物-靶蛋白相互作用的分子对接模型。A2MDB 还具有代表曲霉病和曲霉菌属全球发生情况的流行病学数据。此外，还提供了一种新型的曲霉病分类，以及 370 份带有图像的病例报告。对于列出的每种代谢产物，都提供了到相关数据库的外部链接。所有这些数据都可以在 A2MDB 上获得，该数据库由印度海得拉巴的印度化学技术研究所推出，作为一个开放资源 http://www.iictindia.org/A2MDB。我们相信，A2MDB 对正在寻求新型治疗方法的科学界具有实际意义。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dbd1/5544713/7ee57730d350/41598_2017_7436_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dbd1/5544713/dff2e7b4befa/41598_2017_7436_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dbd1/5544713/a27b5313eff7/41598_2017_7436_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dbd1/5544713/f00c7035417b/41598_2017_7436_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dbd1/5544713/07a8f2caa962/41598_2017_7436_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dbd1/5544713/6f26570a25ba/41598_2017_7436_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dbd1/5544713/7ee57730d350/41598_2017_7436_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dbd1/5544713/dff2e7b4befa/41598_2017_7436_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dbd1/5544713/a27b5313eff7/41598_2017_7436_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dbd1/5544713/f00c7035417b/41598_2017_7436_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dbd1/5544713/07a8f2caa962/41598_2017_7436_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dbd1/5544713/6f26570a25ba/41598_2017_7436_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dbd1/5544713/7ee57730d350/41598_2017_7436_Fig6_HTML.jpg

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