药典
数据库
相似性(几何)
计算机科学
医学
人工智能
替代医学
病理
图像(数学)
作者
Н. С. Ионов,Dmitry S. Druzhilovskiy,Dmitry Filimonov,Vladimir Poroikov
标识
DOI:10.1021/acs.jcim.2c01567
摘要
Medicinal plants growing in Russia are a rich source of biologically active compounds. However, the evaluation of the hidden pharmacological potential of these compounds by in silico methods is complicated by the lack of specialized databases. We have created a database of 3128 phytocomponents from 268 medical plants included in the Russian Pharmacopoeia. The information about the compounds was supplemented with their physical-chemical characteristics and biological activity profiles estimated using the PASS software. Comparison with phytocomponents of medicinal plants from five other countries showed that the similarity of phytocomponents in our database is rather small. The uniqueness of the contents significantly enriches and provides easy access to the necessary information. The Phyto4Health data are freely available at http://www.way2drug.com/p4h/.
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