Institute for Theoretical Biology, Humboldt-University Berlin, Invalidenstraße 110, Berlin 10115, Germany.
Department of Biochemistry, University of Stellenbosch, Van der Byl Street, Stellenbosch 7600, South Africa.
Nucleic Acids Res. 2021 Jan 8;49(D1):D1358-D1364. doi: 10.1093/nar/gkaa990.
A multitude of pharmacokinetics studies have been published. However, due to the lack of an open database, pharmacokinetics data, as well as the corresponding meta-information, have been difficult to access. We present PK-DB (https://pk-db.com), an open database for pharmacokinetics information from clinical trials. PK-DB provides curated information on (i) characteristics of studied patient cohorts and subjects (e.g. age, bodyweight, smoking status, genetic variants); (ii) applied interventions (e.g. dosing, substance, route of application); (iii) pharmacokinetic parameters (e.g. clearance, half-life, area under the curve) and (iv) measured pharmacokinetic time-courses. Key features are the representation of experimental errors, the normalization of measurement units, annotation of information to biological ontologies, calculation of pharmacokinetic parameters from concentration-time profiles, a workflow for collaborative data curation, strong validation rules on the data, computational access via a REST API as well as human access via a web interface. PK-DB enables meta-analysis based on data from multiple studies and data integration with computational models. A special focus lies on meta-data relevant for individualized and stratified computational modeling with methods like physiologically based pharmacokinetic (PBPK), pharmacokinetic/pharmacodynamic (PK/PD), or population pharmacokinetic (pop PK) modeling.
已经发表了大量的药代动力学研究。然而，由于缺乏开放的数据库，药代动力学数据以及相应的元信息，难以获取。我们提出了 PK-DB（https://pk-db.com），这是一个用于临床试验药代动力学信息的开放数据库。PK-DB 提供了经过精心整理的信息，包括：（i）研究患者队列和个体的特征（例如年龄、体重、吸烟状况、遗传变异）；（ii）应用的干预措施（例如剂量、物质、应用途径）；（iii）药代动力学参数（例如清除率、半衰期、曲线下面积）；以及（iv）测量的药代动力学时间过程。主要特点是表示实验误差、测量单位的标准化、将信息注释到生物学本体、从浓度-时间曲线计算药代动力学参数、用于协作数据整理的工作流程、对数据的严格验证规则、通过 REST API 进行计算访问以及通过 Web 界面进行人工访问。PK-DB 支持基于来自多个研究的数据进行元分析以及与计算模型进行数据集成。特别关注与个体化和分层计算建模相关的元数据，例如基于生理学的药代动力学（PBPK）、药代动力学/药效动力学（PK/PD）或群体药代动力学（pop PK）建模。
