微生物天然产物数据库的建立及应用
微生物天然产物；,数据库；,MDL,ISIS,Base化学信息管理系统,,微生物天然产物；,数据库；,MDL,ISIS,Base化学信息管理系统,参考文献
摘要： 微生物天然产物数据库(microbial natural products database，MNPD)是由中国医学科学院医药生物技术研究所和创腾科技有限公司联合开发，在MDL ISIS Base化学信息管理系统上构建的综合性天然产物数据库。包括15000多个微生物天然产物的来源、制备、理化性质、二维和三维化学结构、生物活性和原始文献等信息资料，可用于微生物天然产物的信息查询、总结性检索和计算机辅助药物分子设计研究。微生物天然产物数据库是医药领域科研工作者开展药物研发及相关工作的重要工具。本文简要介绍了数据库的开发历程、组成、功能及一些应用实例。关键词： 微生物天然产物； 数据库； MDL ISIS Base化学信息管理系统
Development and application of microbial natural products database
Jiang Wei, Si Shuyi, Chen Xiangping, Wang Lin, Zhuang Xiliang, Zou Jian, Chen Hongshan, Cao Lingxiao, Feng Hua and Chen Li
(Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences,Peking Union Medical College, Beijing 100050;NeoTrident Technology Ltd., Beijing 100080)
ABSTRACT Microbial natural products database (MNPD) is an integrated chemical compounds database containing abundant information of origin, preparation, physiochemical properties, 2D and 3D structures, biological activities and literature sources of over 15000 microbial secondary metabolites. MNPD is constructed on the basis of MDL ISIS Base scientific information management system. It is not only useful to the search and investigation of known microbial natural products and computer aided drug design, but also has become a valuable tool for new drug discovery and development. This paper mainly introduces the development, construction, function and general applications of MNPD. ......
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