药物发现
天然产物
药品
生物
数据库
化学
药理学
生物信息学
生物化学
计算机科学
作者
Fidele Ntie‐Kang,Kiran K. Telukunta,Kersten Döring,Conrad V. Simoben,Aurélien F. A. Moumbock,Yvette I. Malange,Leonel E. Njume,Joseph N. Yong,Wolfgang Sippl,Stefan Günther
标识
DOI:10.1021/acs.jnatprod.7b00283
摘要
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/ .
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