板蓝根化学成分信息库的构建

目的 板蓝根(Isatidis Radix)为十字花科菘蓝属植物菘蓝(Isatis indigotica Fortune)的干燥根。作为清热解毒的代表中药之一,板蓝根与其制剂广泛用于各类感冒的预防和治疗,在严重急性呼吸综合征(SARS)、甲流和新冠疫情的防治中发挥了积极作用。尽管板蓝根的化学成分研究已经十分深入,但目前国内外尚无可全面查询所有化合物信息的数据库、网站或文献,不利于相关研究的开展,因此需要建立板蓝根化学成分信息库。方法 本研究按化学成分类别,对板蓝根中近400个化学成分的中英文名称、分子式、精确相对分子质量、结构式、参考文献等信息进行了全面的整理,构建了板蓝根化学成分信息库。结果 截至2020年9月,研究人员共从板蓝根中提取、分离、鉴别得到17大类392个化合物。结论 构建的化学成分信息库可为该药材及制剂的化学成分分离鉴定、质量控制、物质基础挖掘、网络药理学研究等提供基础。

Construction of Information Bank of Chemical Components in Isatidis Radix

OBJECTIVE Isatidis Radix is the dried root of Isatis indigotica Fortune of Cruciferae. As a representative traditional Chinese medicine for heat-clearing and detoxification, Isatidis Radix and its preparations are widely used in the prevention and treatment of all kinds of colds and have played an active role in the prevention and treatment of SARS, H1N1 and COVID-19. Although the chemical ingredient of Isatidis Radix has been studied deeply, there is no information bank, website or literature that can comprehensively query the information of all compounds at home and abroad, which is not conducive to the development of related research. So establishment of the chemical composition information bank is in need. METHODS According to the category of chemical ingredients, the Chinese and English names, molecular formulas, exact molecular weights, structural formulas and references of nearly 400 chemical components in Isatidis Radix were comprehensively sorted out, and the chemical composition information bank of Isatidis Radix was constructed. RESULTS By September 2020, a total of 392 compounds in 17 categories had been extracted, isolated and identified from Isatidis Radix. CONCLUSIONT The established chemical composition information bank can provide the basis for the separation and identification of chemical components, quality control, material basis mining, network pharmacology research and so on.