NADES extraction, UHPLC-ELSD-based quantification, and network pharmacology-guided target identification of fourteen specialised metabolites from Trillium govanianum Wall. ex D.Don.

IF 3 3区 生物学 Q2 BIOCHEMICAL RESEARCH METHODS Phytochemical Analysis Pub Date : 2024-08-01 Epub Date: 2024-04-24 DOI:10.1002/pca.3357
Prithvi Pal Singh, Anmol, Patil Shivprasad Suresh, Upendra Sharma
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引用次数: 0

Abstract

Introduction: Trillium govanianum Wall. ex D.Don is a folk medicinal herb rich in structurally diverse steroidal saponins. The annual demand for this herb in India is about 200-500 metric tons, highlighting the need for a thorough quality assessment.

Objective: The objective of this study is to develop an easy and reliable ultrahigh-performance liquid chromatography-evaporative light scattering detector (UHPLC-ELSD)-based quality assessment method with 14 specialised metabolites of T. govanianum and identify the potential targets of this herb using network pharmacology.

Material and methods: A UHPLC-ELSD method was developed and validated with 14 markers of T. govanianum. The developed method and natural deep eutectic solvent (NADES)-assisted extraction were utilised for the recovery enhancement study of targeted specialised metabolites from rhizome samples (collected from five geographically distinct areas). In addition, the network pharmacology approach was performed for these 14 markers to predict the plausible biological targets of T. govanianum.

Result: The developed method showed good linearity (r2: 0.940-0.998), limit of detection (LOD) (2.4-9.0 μg), limit of quantification (LOQ) (7.92-29.7 μg), precision (intra-day relative standard deviations [RSDs] 0.77%-1.96% and inter-day RSDs 2.19-4.97%), and accuracy (83.24%-118.90%). NADES sample TG-1* showed the highest recovery (yield: 167.66 ± 4.39 mg/g of dry weight) of total saponin content (TSC) as compared to its hydroethanolic extract (yield: 103.95 ± 5.36 mg/g of dry weight). Sample TG-1* was the most favourable (yield: 167.66 ± 4.39 mg/g) in terms of TSC as compared to other analysed samples (32.68 ± 1.04-88.22 ± 6.79 mg/g). Govanoside D (yield: 3.43-28.06 mg/g), 22β-hydroxyprotodioscin (yield: 3.22-114.79 mg/g), and dioscin (yield: 1.07-20.82 mg/g) were quantified as the major metabolites. Furthermore, network pharmacology analysis of targeted 14 markers indicated that these molecules could be possible therapeutic agents for managing neuralgia, diabetes mellitus, and hyperalgesia.

Conclusion: The current study represents the first report for the simultaneous quantification and a network pharmacology-based analysis of 14 chemical marker compounds isolated from T. govanianum.

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从 Trillium govanianum Wall.
简介Trillium govanianum Wall.印度每年对这种草药的需求量约为 200-500 公吨,因此需要对其进行全面的质量评估:本研究旨在开发一种基于超高效液相色谱-蒸发光散射检测器(UHPLC-ELSD)的简便可靠的质量评估方法,其中包含 14 种 T. govanianum 的特殊代谢物,并利用网络药理学确定这种草药的潜在靶标:材料和方法:开发并验证了一种超高效液相色谱-超高效液相色谱分离(UHPLC-ELSD)方法。利用所开发的方法和天然深层共晶溶剂(NADES)辅助萃取技术,从根茎样品(采集自五个地理位置不同的地区)中对目标特殊代谢物进行了回收率提高研究。此外,还对这 14 个标记物进行了网络药理学分析,以预测 T. govanianum 的合理生物靶标:所开发的方法具有良好的线性(r2:0.940-0.998)、检出限(LOD)(2.4-9.0 μg)、定量限(LOQ)(7.92-29.7 μg)、精密度(日内相对标准偏差[RSD] 0.77%-1.96%,日间 RSD 2.19-4.97%)和准确度(83.24%-118.90%)。与水乙醇提取物(收率:103.95 ± 5.36 mg/g(干重))相比,NADES 样品 TG-1* 的总皂苷含量(TSC)回收率最高(收率:167.66 ± 4.39 mg/g(干重))。与其他分析样品(32.68 ± 1.04-88.22 ± 6.79 mg/g)相比,样品 TG-1* 的总皂苷含量最高(收率:167.66 ± 4.39 mg/g)。高旺苷 D(产率:3.43-28.06 毫克/克)、22β-羟基原薯蓣皂甙(产率:3.22-114.79 毫克/克)和薯蓣皂甙(产率:1.07-20.82 毫克/克)被定量为主要代谢物。此外,对 14 个目标标记的网络药理学分析表明,这些分子可能是治疗神经痛、糖尿病和痛觉减退的药物:目前的研究首次报道了从 T. govanianum 中分离出的 14 种化学标记化合物的同时定量和基于网络药理学的分析。
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来源期刊
Phytochemical Analysis
Phytochemical Analysis 生物-分析化学
CiteScore
6.00
自引率
6.10%
发文量
88
审稿时长
1.7 months
期刊介绍: Phytochemical Analysis is devoted to the publication of original articles concerning the development, improvement, validation and/or extension of application of analytical methodology in the plant sciences. The spectrum of coverage is broad, encompassing methods and techniques relevant to the detection (including bio-screening), extraction, separation, purification, identification and quantification of compounds in plant biochemistry, plant cellular and molecular biology, plant biotechnology, the food sciences, agriculture and horticulture. The Journal publishes papers describing significant novelty in the analysis of whole plants (including algae), plant cells, tissues and organs, plant-derived extracts and plant products (including those which have been partially or completely refined for use in the food, agrochemical, pharmaceutical and related industries). All forms of physical, chemical, biochemical, spectroscopic, radiometric, electrometric, chromatographic, metabolomic and chemometric investigations of plant products (monomeric species as well as polymeric molecules such as nucleic acids, proteins, lipids and carbohydrates) are included within the remit of the Journal. Papers dealing with novel methods relating to areas such as data handling/ data mining in plant sciences will also be welcomed.
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