Combining multidimensional chromatography-mass spectrometry and feature-based molecular networking methods for the systematic characterization of compounds in the supercritical fluid extract of <i>Tripterygium wilfordii Hook F</i>

Qu, Boquan; Liu, Yanfang; Shen, Aijin; Guo, Zhimou; Yu, Long; Liu, Dian; Huang, F.; Peng, Ting; Yan, Jingyu

doi:10.1039/d2an01471h

Cited by 11 publications

(3 citation statements)

References 38 publications

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“…However, none of these methods alone offers a complete solution to overcome purification and isolation challenges. Ideally, the best result is typically achieved by combining different techniques [ 152 ]. For instance, the preliminary fractionation of crude extracts of NPs using organic solvents, followed by successive separation through CC and ultimately isolating compounds using HPLC or PTLC, have exhibited greater success in getting pure compounds [ 153 ].…”

Section: Approaches and Techniques For The Biodiscovery Of Anti-infla...mentioning

confidence: 99%

Approaches, Strategies and Procedures for Identifying Anti-Inflammatory Drug Lead Molecules from Natural Products

Jamtsho,

Yeshi,

Perry

et al. 2024

Pharmaceuticals

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Natural products (NPs) have played a vital role in human survival for millennia, particularly for their medicinal properties. Many traditional medicine practices continue to utilise crude plants and animal products for treating various diseases, including inflammation. In contrast, contemporary medicine focuses more on isolating drug-lead compounds from NPs to develop new and better treatment drugs for treating inflammatory disorders such as inflammatory bowel diseases. There is an ongoing search for new drug leads as there is still no cure for many inflammatory conditions. Various approaches and technologies are used in drug discoveries from NPs. This review comprehensively focuses on anti-inflammatory small molecules and describes the key strategies in identifying, extracting, fractionating and isolating small-molecule drug leads. This review also discusses the (i) most used approaches and recently available techniques, including artificial intelligence (AI), (ii) machine learning, and computational approaches in drug discovery; (iii) provides various animal models and cell lines used in in-vitro and in-vivo assessment of the anti-inflammatory potential of NPs.

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Section: Approaches and Techniques For The Biodiscovery Of Anti-infla...mentioning

confidence: 99%

Approaches, Strategies and Procedures for Identifying Anti-Inflammatory Drug Lead Molecules from Natural Products

Jamtsho,

Yeshi,

Perry

et al. 2024

Pharmaceuticals

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“…Diterpenes are among the major active metabolites of T. wilfordii and can be further classified as abietane, tigliane, and ingenane diterpenes (Qu et al, 2022). Among these, triptolide was first isolated from T. wilfordii in 1972 by Kupchan, and exhibits potent pharmacological activities against various immune disorders, cancers, viruses, fibrosis, asthma, depression, and metabolic imbalances (Guo et al, 2016;Yuan et al, 2019).…”

Section: Diterpenesmentioning

confidence: 99%

A comprehensive review of Tripterygium wilfordii hook. f. in the treatment of rheumatic and autoimmune diseases: Bioactive compounds, mechanisms of action, and future directions

Shan,

Zhao,

Wei

et al. 2023

Front. Pharmacol.

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Rheumatic and autoimmune diseases are a group of immune system-related disorders wherein the immune system mistakenly attacks and damages the body’s tissues and organs. This excessive immune response leads to inflammation, tissue damage, and functional impairment. Therapeutic approaches typically involve medications that regulate immune responses, reduce inflammation, alleviate symptoms, and target specific damaged organs. Tripterygium wilfordii Hook. f., a traditional Chinese medicinal plant, has been widely studied in recent years for its application in the treatment of autoimmune diseases, including rheumatoid arthritis, systemic lupus erythematosus, and multiple sclerosis. Numerous studies have shown that preparations of Tripterygium wilfordii have anti-inflammatory, immunomodulatory, and immunosuppressive effects, which effectively improve the symptoms and quality of life of patients with autoimmune diseases, whereas the active metabolites of T. wilfordii have been demonstrated to inhibit immune cell activation, regulate the production of inflammatory factors, and modulate the immune system. However, although these effects contribute to reductions in inflammatory responses and the suppression of autoimmune reactions, as well as minimize tissue and organ damage, the underlying mechanisms of action require further investigation. Moreover, despite the efficacy of T. wilfordii in the treatment of autoimmune diseases, its toxicity and side effects, including its potential hepatotoxicity and nephrotoxicity, warrant a thorough assessment. Furthermore, to maximize the therapeutic benefits of this plant in the treatment of autoimmune diseases and enable more patients to utilize these benefits, efforts should be made to strengthen the regulation and standardized use of T. wilfordii.

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“…Tripterygium wilfordii Hook.f (TwHF), known as Lei Gong Teng in Chinese, is a traditional Chinese herbal medicine and first recorded in the traditional Chinese medicine (TCM) classics - shennong bencao jing . TwHF belongs to the Tripterygium wilfordii family, main components include sesquiterpenes, diterpenes, triterpenes and alkaloids [ 1 , 2 ] and main medicinal part is root. TwHF has rich human-used experience in clinic practice, and is mostly used to treat Immune system diseases such as rheumatoid arthritis, [ 3 , 4 ] kidney disease, [ 5 , 6 ] systemic lupus erythematosus [ 7 , 8 ] and so on.…”

Section: Introductionmentioning

confidence: 99%

Tripterygium wilfordii Hook.f induced kidney injury through mediating inflammation via PI3K-Akt/HIF-1/TNF signaling pathway: A study of network toxicology and molecular docking

Yang,

Wang,

et al. 2024

Medicine

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We intend to explore potential mechanisms of Tripterygium wilfordii Hook.f (TwHF) induced kidney injury (KI) using the methods of network toxicology and molecular docking. We determined TwHF potential compounds with its targets and KI targets, obtained the TwHF induced KI targets after intersecting targets of TwHF and KI. Then we conducted protein-protein interaction (PPI) network, gene expression analysis, gene ontology (GO) function and Kyoto encyclopedia of genes and genomes (KEGG) pathway enrichment analysis to explore the mechanism of TwHF-induced KI. Finally we conducted molecular docking to verify the core toxic compounds and the targets. We obtained 12 TwHF toxic compounds and 62 TwHF-induced KI targets. PPI network, gene expression analysis and GO function enrichment analysis unveiled the key biological process and suggested the mechanism of TwHF-induced KI might be associated with inflammation, immune response, hypoxia as well as oxidative stress. KEGG pathway enrichment analysis indicated PI3K-Akt signaling pathway, HIF-1 signaling pathway and TNF signaling pathway were key signaling pathways of TwHF induced KI. Molecular docking showed that the binding energy of core targets and toxic compounds was all less than −6.5 kcal/mol that verified the screening ability of network pharmacology and provided evidence for modifying TwHF toxic compounds structure. Through the study, we unveiled the mechanism of TwHF induce KI that TwHF might activate PI3K-Akt signaling pathway as well as TNF signaling pathway to progress renal inflammation, mediate hypoxia via HIF-1 signaling pathway to accelerate inflammatory processes, and also provided a theoretical basis for modifying TwHF toxic compounds structure as well as supported the follow-up research.

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Combining multidimensional chromatography-mass spectrometry and feature-based molecular networking methods for the systematic characterization of compounds in the supercritical fluid extract of Tripterygium wilfordii Hook F

Abstract: A total of 324 compounds were systematically characterized by feature-based molecular networking. This work provides an efficient strategy for the rapid discovery and characterization of unknown compounds in natural products.

Cited by 11 publications

References 38 publications

Approaches, Strategies and Procedures for Identifying Anti-Inflammatory Drug Lead Molecules from Natural Products

Approaches, Strategies and Procedures for Identifying Anti-Inflammatory Drug Lead Molecules from Natural Products

A comprehensive review of Tripterygium wilfordii hook. f. in the treatment of rheumatic and autoimmune diseases: Bioactive compounds, mechanisms of action, and future directions

Tripterygium wilfordii Hook.f induced kidney injury through mediating inflammation via PI3K-Akt/HIF-1/TNF signaling pathway: A study of network toxicology and molecular docking

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