Molecular mechanism of Rhubarb in the treatment of non-small cell lung cancer based on network pharmacology and molecular docking technology

Tan, Ye; Yu, Longquan

doi:10.1007/s11030-022-10501-w

Cited by 8 publications

(3 citation statements)

References 45 publications

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“…Molecular docking is a recent technology developed from the “lock and key model”. It operates based on the principle that small molecule ligands found in drugs bind to specific protein receptors, and it is utilized to predict the affinity between a drug and target by analyzing the structure of the ligand and receptor and computing the binding energy (Crampon et al, 2021; Tan & Lu, 2023).…”

Section: Introductionmentioning

confidence: 99%

A comprehensive quality evaluation method of different medicinal parts of Physalis Calyx seu Fructus by fingerprints, chemometrics, antioxidant activity, network pharmacology and molecular docking

Liu

et al. 2023

Biomedical Chromatography

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Physalis Calyx seu Fructus (PCF) is a herb widely used in China for its function of clearing heat and detoxifying, benefitting the pharynx and reducing phlegm, both in health care and in tea drinking. However, the quality of its fruit and calyx is uneven and the storage period is short. Therefore, it is crucial to develop other parts of PCF with longer storage periods and obvious medicinal effects. Firstly, high‐performance liquid chromatography was used to develop the fingerprint of different parts of PCF, and various chemometric analyses were conducted to screen out chemical markers. The calyxes of PCF were found to cluster together, distinct from the fruits, roots, stems and leaves. The active components of PCF were concentrated in the persistent calyxes, and flavonoids were mainly found in the persistent calyxes and leaves. Secondly, the extraction of persistent calyxes showed the strongest scavenging ability of DPPH and ABTS. Finally, the important chemical markers were verified by network pharmacological analysis and molecular docking. It provides a reference for the clinical application of PCF, and the obtained chemical markers offer a scientific basis for quality evaluation.

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Section: Introductionmentioning

confidence: 99%

A comprehensive quality evaluation method of different medicinal parts of Physalis Calyx seu Fructus by fingerprints, chemometrics, antioxidant activity, network pharmacology and molecular docking

Liu

et al. 2023

Biomedical Chromatography

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“…China's cobalt import trade has maintained rapid growth, and at present, the homogeneous effect of a certain industry has not been covered at home and abroad, one based on the complex network, and there are few studies at home and abroad [9]. The study of the cohort effect of China in the world cotton cobalt trade has guiding significance for the long-term development of China's cobalt import and export trade []- [12].…”

Section: Introductionmentioning

confidence: 99%

Study on the factors influencing the evolution mechanism of cobalt trade network from the perspective of national competition

Yang¹

2023

Applied Mathematics and Nonlinear Sciences

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In order to enhance national competitiveness while ensuring the rational operation of world trade activities, the highly internationalized development of cobalt trade is promoted. This paper analyzes the current situation of world cobalt trade through the collection and collation of trade network data. That is, each node on the network represents an activity subject, and the relationship between nodes and nodes exists in terms of commodity demand and supply, reflecting the network Spatio-temporal divergence characteristics of global commodity trade. By measuring the topological network indicators such as density, point degree, intermediary centrality, and proximity to the center, the influence of a country in the trade network and whether it occupies the central position can be more clearly defined, effectively capturing the strength of the relationship between the nodes in the world trade network and facilitating the understanding of the evolution mechanism of the world trade network, and using the QAP regression model to calculate the relationship and trade volume between two countries that affect the trade connection. The results of the study show that China’s cobalt production in 2021 is 2,105 tons, down 8.5% year-on-year. With the passage of time, the overall scale of the international trade network of bauxite is growing, the number of countries involved in the trade is increasing, the trade volume is growing, and the trade relationship between countries is gradually increasing, which reflects the good development trend of global bauxite trade.

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“…Molecular docking is a new technology developed from the "lock and key model". It is based on the principle that small molecule ligands of drugs bind to protein receptors and is used to predict the a nity between drug and target by studying the structure of ligand and receptor and calculating the binding energy (Crampon et al 2021;Tan and Lu 2022).…”

mentioning

confidence: 99%

WITHDRAWN: A comprehensive quality evaluation method of different medicinal parts of Physalis Calyx seu Fructus by fingerprints, chemometrics, antioxidant activity, network pharmacology, and molecular docking

Liu

et al. 2022

Preprint

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Physalis Calyx seu Fructus (PCF) is one herb with the function of clearing heat and detoxify, benefiting pharynx and reducing phlegm, widely used in health care and tea drinking in China. However, the storage period of fruit and calyx was short and the quality was uneven. It is very important to further develop other parts with long storage period and obvious effect of medicine in PCF. Firstly, the fingerprint of differernt parts of PCF was developed by High-performance Liquid Chromatography (HPLC). The chemical markers were screened out by a variety of chemometric analyses. It was found that the calyxes of PCF could self-cluster among fruits, roots, stems, and leaves. It was found that the significant active components of PCF were mainly in persistent calyxes, and flavonoids were mainly in persistent calyxes and leaves. Moreover, the extraction of persistent calyxes had the strongest scavenging ability of DPPH and ABTS. Finally, the important chemical markers were verified by network pharmacological analysis and molecular docking. It provides a reference for clinical application of PCF, and the obtained chemical markers also provide a scientific reference for quality evaluation.

show abstract

Molecular mechanism of Rhubarb in the treatment of non-small cell lung cancer based on network pharmacology and molecular docking technology

Cited by 8 publications

References 45 publications

A comprehensive quality evaluation method of different medicinal parts of Physalis Calyx seu Fructus by fingerprints, chemometrics, antioxidant activity, network pharmacology and molecular docking

A comprehensive quality evaluation method of different medicinal parts of Physalis Calyx seu Fructus by fingerprints, chemometrics, antioxidant activity, network pharmacology and molecular docking

Study on the factors influencing the evolution mechanism of cobalt trade network from the perspective of national competition

WITHDRAWN: A comprehensive quality evaluation method of different medicinal parts of Physalis Calyx seu Fructus by fingerprints, chemometrics, antioxidant activity, network pharmacology, and molecular docking

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