Dataset Information

Mechanism of Chaihu Longgu oyster adjusted decoction for the treatment of depression based on network pharmacology and molecular docking technology.

ABSTRACT:

Background

Depression is a common clinical psychiatric disorder that is responsible for health-related disease burdens globally. According to traditional Chinese medicine (TCM), mental disorders and qi stagnation are important pathogenic mechanisms of depression. The Chaihu Longgu Oyster Decoction, which has been documented in the Shanghanlun (Treatise on Typhoid), is widely used to treat various affective disorders.

Methods

Network pharmacology and molecular docking technology were used to investigate the material basis and mechanism of action of the Chaihu Longgu oyster adjusted decoction in treating depression. The main pharmacological substance bases, possible targets, and pathways of Chaihu Longgu oyster adjusted decoction in treating depression were visualized by constructing a "component-pathway-target" network.

Results

Quercetin, 7-methoxy-2-methylisoflavone, baicalein, kaempferol, and lignan are the main practical chemical components in Chaihu Longgu oyster adjusted decoction. The Chaihu Longgu oyster adjusted decoction regulates 74 protein targets and 142 pathways associated with depression. Its molecular mechanism involves inhibiting neuroinflammation and improving neurotransmitter function, neuroplasticity, etc.

Conclusions

The underlying mechanism of the anti-depressive effect of the Chaihu Longgu oyster adjusted decoction may involve neuroinflammatory response reduction and improvement of neurotransmitter function and neuroplasticity. This study revealed the mechanism of action of the Chaihu Longgu oyster adjusted decoction in the treatment of depression through network pharmacology, which provides a scientific basis for clinical application.

SUBMITTER: Li C

PROVIDER: S-EPMC10009556 | biostudies-literature | 2023 Feb

REPOSITORIES: biostudies-literature

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Publications

Mechanism of Chaihu Longgu oyster adjusted decoction for the treatment of depression based on network pharmacology and molecular docking technology.

Li Chunlin C Li Bowen B Liu Hui H Qu Linglong L Wang Hui H

Annals of translational medicine 20230222 4

<h4>Background</h4>Depression is a common clinical psychiatric disorder that is responsible for health-related disease burdens globally. According to traditional Chinese medicine (TCM), mental disorders and qi stagnation are important pathogenic mechanisms of depression. The Chaihu Longgu Oyster Decoction, which has been documented in the Shanghanlun (Treatise on Typhoid), is widely used to treat various affective disorders.<h4>Methods</h4>Network pharmacology and molecular docking technology we ...[more]

PMID: 36923088

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Project description:ObjectiveTo explore the target, signaling pathways and their biological functions of Qingfei Paidu Decoction in the treatment of COVID-19 based on network pharmacology and molecular docking technology.MethodsThe active components and target proteins in 21 drugs such as Ephedrae Herba and Pinelliae Rhizoma in Qingfei Paidu decoction were analyzed, and the signaling pathways and biological functions of the target proteins common with COVID-19 were screened by using TCMSP, Swiss Target Prediction, CooLGeN, GeneCards, DAVID and other databases. The network diagram of Qingfei Paidu decoction was constructed using Gephi software.ResultsWe identified 163 active ingredients, including MOL004798, MOL000519, MOL004824, MOL000554, MOL010428, and MOL013443, from 18 drugs in Qingfei Paidu decoction (such as Ephedrae Herba, Pinelliae Rhizoma, Glycyrrhizae Radix Et Rhiizoma, Farfarae Flos, Asteris Radix Et Rhizoma and Aurantii Fructus Immaturus). These ingredients activate renin-angiotensin system signaling pathway and apoptosis signaling pathway by regulating 10 protein targets (ACE, ACE2, AGTR1, FURIN, TNF, CASP3, CASP6, DPP4, MCL1 and POLD1) to execute 42 biological functions such as renin-angiotensin regulation of blood volume and systemic arterial blood pressure to treat COVID-19. The results of preliminary molecular docking showed that MOL000519 (from Pinelliae Rhizoma), MOL000554 (from Farfarae Flos), MOL004798 (from Ephedrae Herba), MOL004824 (from Glycyrrhizae Radix Et Rhiizoma), MOL010428 (from Asteris Radix Et Rhizoma), and MOL013443 (from Aurantii Fructus Immaturus) had good affinity with SARS-CoV-2 3CL hydrolase to form complexes with stable conformations and high binding activity (binding energy ≤- 5 kJ/mol).ConclusionsQingfei Paidu decoction can treat COVID-19 through its multiple medicinal ingredients that have multiple targets and involve multiple signaling pathways for different biological functions. Our finding provides reference for further investigation into the pharmacological mechanism of Qingfei Paidu decoction in treating COVID-19.

Dataset Information

Mechanism of Chaihu Longgu oyster adjusted decoction for the treatment of depression based on network pharmacology and molecular docking technology.

Background

Methods

Results

Conclusions

Publications

Mechanism of Chaihu Longgu oyster adjusted decoction for the treatment of depression based on network pharmacology and molecular docking technology.

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