
炎症与各种疾病的发生和发展密切相关,例如过敏反应,动脉粥样硬化,癌症,关节炎和自身免疫性疾病,这些疾病严重威胁着人类健康。由于小分子是药物发现的重要来源,因此我们开发了抗炎化合物数据库(AICD)来促进抗炎药物的发现。AICD中包括79,781个小分子,232个与炎症相关的靶标以及94,380条化合物-蛋白质结合活性数据记录。在AICD中,每个分子的活性数据均来自实验模型Ki,IC50,EC50或Kd。180个实验模型分为16类,例如竞争性活性测定,酶活性测定等。我们还为AICD中与炎症相关的靶标提供在线分子对接支持。AICD根据知识共享署名许可协议的条款进行分发和复制(Creative commons 4.0)。
Inflammation is closely related to the occurrence and development of various diseases, such as allergic reactions, atherosclerosis, cancer, arthritis and autoimmune diseases, which seriously threaten human health. The anti-inflamamtory compounds database (AICD) has been developed to facilitate the discovery of anti-inflammatory drugs since small molecules are an important source for drug discovery. AICD includes 79,781 small molecules, 232 inflammation-related targets, and 94,380 records of compound-protein binding activity data. In AICD, each molecule has activity data derived from experimental models, Ki, IC50, EC50 or Kd. 180 experimental models are grouped into 16 categories, such as competitive activity assay, enzyme activity assay, etc. We also provide online molecular docking support for inflammation-related targets in AICD. AICD is distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited.
How to cite this:
Kun Wang#, Jianyong Xiao#, Xiaodong Liu#, Zhuqiao Jiang, Yujuan Zhan, Ting Yin, Lina He, Fangyuan Zhang, Shangping Xing, Bonan Chen, Yingshi Li, Fengxue Zhang, Zaoyuan Kuang*, Biaoyan Du*, Jiangyong Gu*. AICD: an integrated anti-inflammatory compounds database for drug discovery[J]. Scientific reports, 2019, 9(1): 1-10.
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本篇文章来源于微信公众号: OncoLab
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