State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China.
National Resource Center for Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, China.
Nucleic Acids Res. 2021 Jan 8;49(D1):D509-D515. doi: 10.1093/nar/gkaa763.
Marine organisms are expected to be an important source of inspiration for drug discovery after terrestrial plants and microorganisms. Despite the remarkable progress in the field of marine natural products (MNPs) chemistry, there are only a few open access databases dedicated to MNPs research. To meet the growing demand for mining and sharing for MNPs-related data resources, we developed CMNPD, a comprehensive marine natural products database based on manually curated data. CMNPD currently contains more than 31 000 chemical entities with various physicochemical and pharmacokinetic properties, standardized biological activity data, systematic taxonomy and geographical distribution of source organisms, and detailed literature citations. It is an integrated platform for structure dereplication (assessment of novelty) of (marine) natural products, discovery of lead compounds, data mining of structure-activity relationships and investigation of chemical ecology. Access is available through a user-friendly web interface at https://www.cmnpd.org. We are committed to providing a free data sharing platform for not only professional MNPs researchers but also the broader scientific community to facilitate drug discovery from the ocean.
海洋生物被期望成为继陆地植物和微生物之后药物发现的一个重要灵感来源。尽管海洋天然产物（MNPs）化学领域取得了显著进展，但专门用于 MNPs 研究的开放获取数据库却寥寥无几。为了满足对 MNPs 相关数据资源挖掘和共享的日益增长的需求，我们开发了 CMNPD，这是一个基于人工整理数据的综合性海洋天然产物数据库。CMNPD 目前包含超过 31000 种具有各种物理化学和药代动力学特性的化学实体、标准化的生物活性数据、来源生物体的系统分类学和地理分布，以及详细的文献引用。它是一个集成平台，用于（海洋）天然产物的结构非复制（新颖性评估）、先导化合物的发现、结构-活性关系的数据挖掘以及化学生态学的研究。可通过用户友好的网络界面 https://www.cmnpd.org 访问。我们致力于为不仅是专业的 MNPs 研究人员，而且是更广泛的科学界提供一个免费的数据共享平台，以促进从海洋中发现药物。
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