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NANPDB:来自北非来源的天然产物资源。

NANPDB: A Resource for Natural Products from Northern African Sources.

作者信息

Ntie-Kang Fidele, Telukunta Kiran K, Döring Kersten, Simoben Conrad V, A Moumbock Aurélien F, Malange Yvette I, Njume Leonel E, Yong Joseph N, Sippl Wolfgang, Günther Stefan

机构信息

Department of Pharmaceutical Chemistry, Martin-Luther University of Halle-Wittenberg , Wolfgang-Langenbeck Straße 4, 06120 Halle (Saale), Germany.

Institute of Pharmaceutical Sciences, Research Group Pharmaceutical Bioinformatics, Albert-Ludwigs-University Freiburg , Hermann-Herder-Straße 9, 79104 Freiburg, Germany.

出版信息

J Nat Prod. 2017 Jul 28;80(7):2067-2076. doi: 10.1021/acs.jnatprod.7b00283. Epub 2017 Jun 22.

Abstract

Natural products (NPs) are often regarded as sources of drugs or drug leads or simply as a "source of inspiration" for the discovery of novel drugs. We have built the Northern African Natural Products Database (NANPDB) by collecting information on ∼4500 NPs, covering literature data for the period from 1962 to 2016. The data cover compounds isolated mainly from plants, with contributions from some endophyte, animal (e.g., coral), fungal, and bacterial sources. The compounds were identified from 617 source species, belonging to 146 families. Computed physicochemical properties, often used to predict drug metabolism and pharmacokinetics, as well as predicted toxicity information, have been included for each compound in the data set. This is the largest collection of annotated natural compounds produced by native organisms from Northern Africa. While the database includes well-known drugs and drug leads, the medical potential of a majority of the molecules is yet to be investigated. The database could be useful for drug discovery efforts, analysis of the bioactivity of selected compounds, or the discovery of synthesis routes toward secondary metabolites. The current version of NANPDB is available at http://african-compounds.org/nanpdb/ .

摘要

天然产物(NPs)通常被视为药物或药物先导物的来源,或者仅仅是发现新型药物的“灵感来源”。我们通过收集约4500种天然产物的信息建立了北非天然产物数据库(NANPDB),涵盖了1962年至2016年期间的文献数据。这些数据涵盖主要从植物中分离的化合物,还有一些来自内生菌、动物(如珊瑚)、真菌和细菌来源的贡献。这些化合物是从属于146个科的617种来源物种中鉴定出来的。数据集中的每种化合物都包含了常用于预测药物代谢和药代动力学的计算物理化学性质,以及预测的毒性信息。这是北非本地生物产生的注释天然化合物的最大集合。虽然该数据库包括知名药物和药物先导物,但大多数分子的医学潜力尚未得到研究。该数据库可能有助于药物发现工作、分析选定化合物的生物活性或发现次生代谢物的合成路线。NANPDB的当前版本可在http://african-compounds.org/nanpdb/获取。

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