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Combining untargeted and targeted metabolomics approaches for the standardization of polyherbal formulations through UPLC-MS/MS
Univ Karachi, Int Ctr Chem & Biol Sci, HEJ Res Inst Chem, Karachi 75270, Pakistan.
Univ Karachi, Int Ctr Chem & Biol Sci, HEJ Res Inst Chem, Karachi 75270, Pakistan.
Univ Karachi, Int Ctr Chem & Biol Sci, Dr Panjwani Ctr Mol Med & Drug Res, Karachi 75270, Pakistan.
Univ Karachi, Int Ctr Chem & Biol Sci, HEJ Res Inst Chem, Karachi 75270, Pakistan.
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2019 (English)In: Metabolomics, ISSN 1573-3882, E-ISSN 1573-3890, Vol. 15, no 9, article id 116Article in journal (Refereed) Published
Abstract [en]

Introduction Polyherbal formulations are an integral part of various indigenous medicinal systems such as Traditional Chinese Medicine (TCM) and Ayurveda. The presence of a very large number of compounds makes the quality control of polyherbal formulations very difficult. Objectives To overcome this problem, we have developed a comprehensive strategy for the dereplication of natural products in polyherbal formulations by using Adhatoda vasica as a case study. Methods The strategy is based on five major steps: the collection of plant samples from different locations to observe the effects of environmental variables; LC-ESI-MS/MS-based untargeted metabolite profiling of the plant samples to identify marker compounds using extensive chemometric analysis of the obtained data; the identification of marker compounds in polyherbal products; the isolation, purification and characterization of the marker compounds; and MRM-based quantitative analysis of the isolated marker compounds using LC-ESI-MS/MS. Results Using this strategy, we identified a total of 51 compounds in the methanolic extract of A. vasica plants from 14 accessions. Chemical fingerprinting of the plant led to the identification of characteristic peaks that were used to confirm the presence of A. vasica in complex polyherbal formulations. Four quinazoline alkaloids (marker compounds) were isolated, purified and quantified in various herbal formulations containing A. vasica. Conclusion This method demonstrates a comprehensive strategy based on untargeted and targeted metabolite analysis that can be used for the standardization of complex polyherbal formulations.

Place, publisher, year, edition, pages
SPRINGER , 2019. Vol. 15, no 9, article id 116
Keywords [en]
Chemical profiling, Standardization, Identification, Quantification, Polyherbal formulation
National Category
Biochemistry and Molecular Biology
Identifiers
URN: urn:nbn:se:uu:diva-394062DOI: 10.1007/s11306-019-1582-6ISI: 000482446500002PubMedID: 31440842OAI: oai:DiVA.org:uu-394062DiVA, id: diva2:1359400
Available from: 2019-10-09 Created: 2019-10-09 Last updated: 2019-10-09Bibliographically approved

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