Kinoshita Takashi, Lepp Zsolt, Kawai Yoshichika, Terao Junji, Chuman Hiroshi
Institute of Health Biosciences, The University of Tokushima, Graduate School, Schomachi 1-78, Tokushima, 770-8505, Japan.
Biofactors. 2006;26(3):179-88. doi: 10.1002/biof.5520260303.
Flavonoids are polyphenolic compounds that occur ubiquitously in foods of plant origin. Some of these molecules exhibit various physiological activities. Among existing drugs, there are a huge number of compounds bearing a flavonoid-related skeleton. Because of the relevance for pharmaceutical research, it would be beneficial to collect these compounds into a database. Recently, various databases of chemicals were compiled to help biological and/or chemical research, but no comprehensive database of flavonoids with chemical structures and physicochemical parameters, supposedly related to their activity, is available yet. The aim of this research was to merge the information about flavonoids of plant origin and flavonoids used as medicines into a database. Moreover, predictions of activities against various targets were performed using a virtual screening procedure to demonstrate a possible application of the database for pharmaceutical research.
黄酮类化合物是普遍存在于植物性食物中的多酚类化合物。其中一些分子具有多种生理活性。在现有药物中，有大量带有类黄酮相关骨架的化合物。鉴于其与药物研究的相关性，将这些化合物收集到一个数据库中会很有帮助。最近，为了辅助生物学和/或化学研究，人们编制了各种化学物质数据库，但目前还没有一个包含化学结构和理化参数（据推测与活性相关）的类黄酮综合数据库。本研究的目的是将有关植物源类黄酮和用作药物的类黄酮的信息合并到一个数据库中。此外，使用虚拟筛选程序对针对各种靶点的活性进行预测，以证明该数据库在药物研究中的可能应用。
