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EMNPD:一个用于促进新型生物活性物质发现的内生微生物天然产物综合数据库。

EMNPD: a comprehensive endophytic microorganism natural products database for prompt the discovery of new bioactive substances.

作者信息

Xu Hong-Quan, Xiao Huan, Bu Jin-Hui, Hong Yan-Feng, Liu Yu-Hong, Tao Zi-Yue, Ding Shu-Fan, Xia Yi-Tong, Wu E, Yan Zhen, Zhang Wei, Chen Gong-Xing, Zhu Feng, Tao Lin

机构信息

Key Laboratory of Elemene Class Anti-cancer Chinese Medicines, School of Pharmacy, Hangzhou Normal University, Hangzhou, 311121, China.

Rehabilitation and Nursing School, Hangzhou Vocational & Technical College, Hangzhou, 310018, Zhejiang, China.

出版信息

J Cheminform. 2023 Nov 28;15(1):115. doi: 10.1186/s13321-023-00779-9.

DOI:10.1186/s13321-023-00779-9
PMID:38017550
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10683116/
Abstract

The discovery and utilization of natural products derived from endophytic microorganisms have garnered significant attention in pharmaceutical research. While remarkable progress has been made in this field each year, the absence of dedicated open-access databases for endophytic microorganism natural products research is evident. To address the increasing demand for mining and sharing of data resources related to endophytic microorganism natural products, this study introduces EMNPD, a comprehensive endophytic microorganism natural products database comprising manually curated data. Currently, EMNPD offers 6632 natural products from 1017 endophytic microorganisms, targeting 1286 entities (including 94 proteins, 282 cell lines, and 910 species) with 91 diverse bioactivities. It encompasses the physico-chemical properties of natural products, ADMET information, quantitative activity data with their potency, natural products contents with diverse fermentation conditions, systematic taxonomy, and links to various well-established databases. EMNPD aims to function as an open-access knowledge repository for the study of endophytic microorganisms and their natural products, thereby facilitating drug discovery research and exploration of bioactive substances. The database can be accessed at http://emnpd.idrblab.cn/ without the need for registration, enabling researchers to freely download the data. EMNPD is expected to become a valuable resource in the field of endophytic microorganism natural products and contribute to future drug development endeavors.

摘要

从内生微生物中提取的天然产物的发现与利用在药物研究中备受关注。尽管该领域每年都取得了显著进展,但内生微生物天然产物研究缺乏专门的开放获取数据库这一情况显而易见。为满足对内生微生物天然产物相关数据资源挖掘与共享日益增长的需求,本研究推出了EMNPD,这是一个包含人工整理数据的综合性内生微生物天然产物数据库。目前,EMNPD提供来自1017种内生微生物的6632种天然产物,针对1286个实体(包括94种蛋白质、282种细胞系和910个物种),具有91种不同的生物活性。它涵盖了天然产物的物理化学性质、ADMET信息、具有效力的定量活性数据、不同发酵条件下的天然产物含量、系统分类法以及与各种成熟数据库的链接。EMNPD旨在作为内生微生物及其天然产物研究的开放获取知识库,从而促进药物发现研究和生物活性物质的探索。该数据库可在http://emnpd.idrblab.cn/免费访问,无需注册,研究人员可自由下载数据。EMNPD有望成为内生微生物天然产物领域的宝贵资源,并为未来的药物开发工作做出贡献。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a568/10683116/e62e2604f3ec/13321_2023_779_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a568/10683116/5a8715383939/13321_2023_779_Fig1_HTML.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a568/10683116/e62e2604f3ec/13321_2023_779_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a568/10683116/5a8715383939/13321_2023_779_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a568/10683116/6f287d8ecf69/13321_2023_779_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a568/10683116/ac718b736275/13321_2023_779_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a568/10683116/86f5d1e06798/13321_2023_779_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a568/10683116/e62e2604f3ec/13321_2023_779_Fig5_HTML.jpg

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