HGMMX:宿主肠道微生物群代谢异生菌数据库
Anton S Kolodnitsky1, Nikita S Ionov1, Anastasia V Rudik1
1Institute of Biomedical Chemistry (IBMC), 10 Bldg. 8, Pogodinskaya Str., Moscow, 119121, Russia.
Journal of chemical information and modeling
|October 23, 2023
概括
肠道微生物群显著影响药物代谢,可能改变药物的疗效和安全性. 本研究介绍了HGMMX数据库,这是了解肠道细菌药物生物转化的一个宝贵资源.
科学领域:
- 微生物学 微生物学
- 药理学 药理学是指药理学的学科.
- 计算化学的计算化学
背景情况:
- 人的肠道微生物群具有广泛的异生菌代谢遗传能力,影响药物的有效性和安全性.
- 肠道细菌介导的药物生物转化可以导致治疗效果降低或严重的不良事件.
- 目前用于研究药物微生物群相互作用的体外方法耗时且昂贵,标准化有限.
研究的目的:
- 创建一个全面的数据库,详细介绍人类肠道微生物群对类似药物化合物的代谢.
- 促进用于预测微生物药物代谢的计算工具的开发.
- 通过提供对微生物群与药物相互作用的见解,帮助制药开发和药物重新用途.
主要方法:
- 关于药物类化合物在肠道微生物群中代谢和不代谢的数据集的编制.
- 整理有关特定化学结构及其代谢命运的信息.
- 人体肠道微生物代谢 (HGMMX) 数据库的开发.
主要成果:
- HGMMX数据库包含368个代谢和310个非代谢结构的信息.
- 该数据库为微生物药物代谢的计算建模提供了基础资源.
- 这个免费访问的数据库可以在https://www.way2drug.com/hgmmx.com上找到.
结论:
- 了解肠道微生物群在药物代谢中的作用对于药物开发和个性化医学至关重要.
- HGMMX数据库解决了对精选数据的需求,以推进in silico预测模型.
- 该资源将支持开发计算方法来分析微生物介导的药物代谢.
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