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一个新的药代动力学天然产物-药物相互作用数据库:从化学特征到临床研究。

A New Data Repository for Pharmacokinetic Natural Product-Drug Interactions: From Chemical Characterization to Clinical Studies.

机构信息

Department of Biomedical Informatics (C.B.-W., E.C., R.D.B.) and School of Pharmacy (M.A.), University of Pittsburgh, School of Medicine, Pittsburgh, Pennsylvania; School of Pharmacy, University of Utah, Salt Lake City, Utah (S.V., R.E.M.); Covance Inc., Clinical Pharmacology, Madison, Wisconsin (B.T.G.); Department of Population Sciences and Department of Hematology & HCT, City of Hope Comprehensive Cancer Center, Duarte, California (J.S.M.); Department of Pharmaceutical Sciences, College of Pharmacy and Pharmaceutical Sciences, Washington State University, Spokane, Washington (M.F.P.); and Center of Excellence for Natural Product Drug Interaction Research, Spokane, Washington (J.S.M., M.F.P., R.D.B.).

Department of Biomedical Informatics (C.B.-W., E.C., R.D.B.) and School of Pharmacy (M.A.), University of Pittsburgh, School of Medicine, Pittsburgh, Pennsylvania; School of Pharmacy, University of Utah, Salt Lake City, Utah (S.V., R.E.M.); Covance Inc., Clinical Pharmacology, Madison, Wisconsin (B.T.G.); Department of Population Sciences and Department of Hematology & HCT, City of Hope Comprehensive Cancer Center, Duarte, California (J.S.M.); Department of Pharmaceutical Sciences, College of Pharmacy and Pharmaceutical Sciences, Washington State University, Spokane, Washington (M.F.P.); and Center of Excellence for Natural Product Drug Interaction Research, Spokane, Washington (J.S.M., M.F.P., R.D.B.)

出版信息

Drug Metab Dispos. 2020 Oct;48(10):1104-1112. doi: 10.1124/dmd.120.000054. Epub 2020 Jun 29.

Abstract

There are many gaps in scientific knowledge about the clinical significance of pharmacokinetic natural product-drug interactions (NPDIs) in which the natural product (NP) is the precipitant and a conventional drug is the object. The National Center for Complimentary and Integrative Health created the Center of Excellence for NPDI Research (NaPDI Center) (www.napdi.org) to provide leadership and guidance on the study of pharmacokinetic NPDIs. A key contribution of the Center is the first user-friendly online repository that stores and links pharmacokinetic NPDI data across chemical characterization, metabolomics analyses, and pharmacokinetic in vitro and clinical experiments (repo.napdi.org). The design is expected to help researchers more easily arrive at a complete understanding of pharmacokinetic NPDI research on a particular NP. The repository will also facilitate multidisciplinary collaborations, as the repository links all of the experimental data for a given NP across the study types. The current work describes the design of the repository, standard operating procedures used to enter data, and pharmacokinetic NPDI data that have been entered to date. To illustrate the usefulness of the NaPDI Center repository, more details on two high-priority NPs, cannabis and kratom, are provided as case studies. SIGNIFICANCE STATEMENT: The data and knowledge resulting from natural product-drug interaction (NPDI) studies is distributed across a variety of information sources, rendering difficulties to find, access, and reuse. The Center of Excellence for NPDI Research addressed these difficulties by developing the first user-friendly online repository that stores data from in vitro and clinical pharmacokinetic NPDI experiments and links them with study data from chemical characterization and metabolomics analyses of natural products that are also stored in the repository.

摘要

关于药代动力学天然产物-药物相互作用(NPDI)中临床意义的科学知识存在许多空白,其中天然产物(NP)是沉淀剂,而常规药物是对象。国家补充与综合健康中心创建了 NPDI 研究卓越中心(NaPDI 中心)(www.napdi.org),为药代动力学 NPDI 的研究提供领导和指导。该中心的一个主要贡献是第一个用户友好的在线存储库,该存储库存储并链接了跨化学特征描述、代谢组学分析以及药代动力学体外和临床实验的药代动力学 NPDI 数据(repo.napdi.org)。该设计有望帮助研究人员更轻松地全面了解特定 NP 的药代动力学 NPDI 研究。该存储库还将促进多学科合作,因为该存储库将给定 NP 的所有研究类型的实验数据链接在一起。目前的工作描述了存储库的设计、用于输入数据的标准操作程序以及迄今为止输入的药代动力学 NPDI 数据。为了说明 NaPDI 中心存储库的有用性,提供了两个高优先级 NP(大麻和藤黄)的更多详细信息作为案例研究。意义陈述:天然产物-药物相互作用(NPDI)研究产生的数据和知识分布在各种信息源中,给查找、访问和重用带来困难。卓越 NPDI 研究中心通过开发第一个用户友好的在线存储库来解决这些困难,该存储库存储来自体外和临床药代动力学 NPDI 实验的数据,并将其与天然产物化学特征描述和代谢组学分析的研究数据链接起来,这些数据也存储在存储库中。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2d4c/7543481/fd940bce9f66/dmd.120.000054f1.jpg

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