【摘要】 化学生物学本科教学中常涉及大量的化合物及药物的知识介绍。在教学中引入药物数据库DrugBank的内容,其中含有详细的药物资源数据信息,是一个独特的生物信息学和化学信息学数据库。DrugBank的最新版本5.1.0包含11037个药物条目,其中包括2524批准的小分子药物,951批准生物技术的药物,112的保健品和5112以上的实验药物,以及4913个非冗余蛋白质序列。许多数据字段可链接到其他数据库,其中还包括各种结构查看程序,可提供序列、化学结构和关系查询搜索,可用于药物设计、靶标发现、药物筛选、药物相互作用预测及普通药学教育中。更多还原

【Abstract】 Chemical biology course often involves the introduction about a large amount of knowledge of compounds and drugs. This paper introduced the contents of DrugBank, a bioinformatics and chemical informatics database including detailed drug resource data, into course teaching. The latest release of DrugBank version 5.1.0 contained11,037 drug entries including 2,524 approved small molecule drugs, 951 approved biotech drugs, 112 nutraceuticals and over 5,112 experimental drugs. Additionally, 4,913 non-redundant protein sequences were linked to these drug entries. Many data fields were hyperlinked to other databases. The database was fully searchable with sequence,chemical structure and relational query searches, which could be used for drug design, drug target discovery, drug screening, drug interaction prediction and general pharmaceutical education.更多还原