Cargando…
Exploring the Mechanism of Action of Trachelospermi Caulis et Folium for Depression Based on Experiments: Combining Network Pharmacology and Molecular Docking
OBJECTIVE: To reveal the safety, efficacy, and mechanism of action of Trachelospermi Caulis et Folium (TCEF) for treating depression. METHODS: The maximum dose method was employed to evaluate the safety of TCEF, and its antidepressant activity was assessed using the tail suspension and sugar water d...
Autores principales: | , , , , , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Hindawi
2022
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9729047/ https://www.ncbi.nlm.nih.gov/pubmed/36506595 http://dx.doi.org/10.1155/2022/3945063 |
_version_ | 1784845405053255680 |
---|---|
author | Wen, Lingmiao Fan, Yuqing Xiong, Wei Liu, Yanjun Zhang, Tinglan Wei, Guihua Altamirano, Alvin Zhang, Tian-e Yan, Zhiyong |
author_facet | Wen, Lingmiao Fan, Yuqing Xiong, Wei Liu, Yanjun Zhang, Tinglan Wei, Guihua Altamirano, Alvin Zhang, Tian-e Yan, Zhiyong |
author_sort | Wen, Lingmiao |
collection | PubMed |
description | OBJECTIVE: To reveal the safety, efficacy, and mechanism of action of Trachelospermi Caulis et Folium (TCEF) for treating depression. METHODS: The maximum dose method was employed to evaluate the safety of TCEF, and its antidepressant activity was assessed using the tail suspension and sugar water depletion tests. The main components of TCEF were determined using ultrahigh performance liquid chromatography coupled with quadrupole exactive orbitrap mass spectrometer (UHPLC-Q-EOMS). The active ingredients and their action targets were obtained using network pharmacology with SwissADME and SwissTargetPrediction screening, and the targets of depression were obtained using GeneCards, DrugBank, etc. The drug and depression-related targets were intersected and analyzed via PPI network, GO, and KEGG. Subsequently, the binding ability of the core components of TCEF to the core targets was validated via molecular docking and simulation. RESULTS: No statistically significant difference was observed between the normal and TCEF groups in terms of body weight, visceral index, and biochemical parameters (P > 0.05). Compared with the model group, all dose groups of TCEF had reduced the immobility time of tail suspension (P < 0.05) and increased the rate of sugar water consumption (P < 0.05). UHPLC-Q-EOMS was employed to identify 59 major components of TCEF, and network pharmacology analysis was used to screen 48 active components of TCEF for treating depression, corresponding to 139 relevant targets, including ALB, AKT1, TNF, ESR1, and CTNNB1. The involved pathways include neuroactive ligand-receptor interaction. The molecular docking results indicated that the core components have a good binding activity to the core targets. CONCLUSIONS: TCEF is a relatively safe antidepressant medicine that exerts therapeutic effects through multiple components, targets, and pathways, providing a new idea and theoretical basis for future use of TCEF to treat depression. |
format | Online Article Text |
id | pubmed-9729047 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | Hindawi |
record_format | MEDLINE/PubMed |
spelling | pubmed-97290472022-12-08 Exploring the Mechanism of Action of Trachelospermi Caulis et Folium for Depression Based on Experiments: Combining Network Pharmacology and Molecular Docking Wen, Lingmiao Fan, Yuqing Xiong, Wei Liu, Yanjun Zhang, Tinglan Wei, Guihua Altamirano, Alvin Zhang, Tian-e Yan, Zhiyong Comput Math Methods Med Research Article OBJECTIVE: To reveal the safety, efficacy, and mechanism of action of Trachelospermi Caulis et Folium (TCEF) for treating depression. METHODS: The maximum dose method was employed to evaluate the safety of TCEF, and its antidepressant activity was assessed using the tail suspension and sugar water depletion tests. The main components of TCEF were determined using ultrahigh performance liquid chromatography coupled with quadrupole exactive orbitrap mass spectrometer (UHPLC-Q-EOMS). The active ingredients and their action targets were obtained using network pharmacology with SwissADME and SwissTargetPrediction screening, and the targets of depression were obtained using GeneCards, DrugBank, etc. The drug and depression-related targets were intersected and analyzed via PPI network, GO, and KEGG. Subsequently, the binding ability of the core components of TCEF to the core targets was validated via molecular docking and simulation. RESULTS: No statistically significant difference was observed between the normal and TCEF groups in terms of body weight, visceral index, and biochemical parameters (P > 0.05). Compared with the model group, all dose groups of TCEF had reduced the immobility time of tail suspension (P < 0.05) and increased the rate of sugar water consumption (P < 0.05). UHPLC-Q-EOMS was employed to identify 59 major components of TCEF, and network pharmacology analysis was used to screen 48 active components of TCEF for treating depression, corresponding to 139 relevant targets, including ALB, AKT1, TNF, ESR1, and CTNNB1. The involved pathways include neuroactive ligand-receptor interaction. The molecular docking results indicated that the core components have a good binding activity to the core targets. CONCLUSIONS: TCEF is a relatively safe antidepressant medicine that exerts therapeutic effects through multiple components, targets, and pathways, providing a new idea and theoretical basis for future use of TCEF to treat depression. Hindawi 2022-11-30 /pmc/articles/PMC9729047/ /pubmed/36506595 http://dx.doi.org/10.1155/2022/3945063 Text en Copyright © 2022 Lingmiao Wen et al. https://creativecommons.org/licenses/by/4.0/This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. |
spellingShingle | Research Article Wen, Lingmiao Fan, Yuqing Xiong, Wei Liu, Yanjun Zhang, Tinglan Wei, Guihua Altamirano, Alvin Zhang, Tian-e Yan, Zhiyong Exploring the Mechanism of Action of Trachelospermi Caulis et Folium for Depression Based on Experiments: Combining Network Pharmacology and Molecular Docking |
title | Exploring the Mechanism of Action of Trachelospermi Caulis et Folium for Depression Based on Experiments: Combining Network Pharmacology and Molecular Docking |
title_full | Exploring the Mechanism of Action of Trachelospermi Caulis et Folium for Depression Based on Experiments: Combining Network Pharmacology and Molecular Docking |
title_fullStr | Exploring the Mechanism of Action of Trachelospermi Caulis et Folium for Depression Based on Experiments: Combining Network Pharmacology and Molecular Docking |
title_full_unstemmed | Exploring the Mechanism of Action of Trachelospermi Caulis et Folium for Depression Based on Experiments: Combining Network Pharmacology and Molecular Docking |
title_short | Exploring the Mechanism of Action of Trachelospermi Caulis et Folium for Depression Based on Experiments: Combining Network Pharmacology and Molecular Docking |
title_sort | exploring the mechanism of action of trachelospermi caulis et folium for depression based on experiments: combining network pharmacology and molecular docking |
topic | Research Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9729047/ https://www.ncbi.nlm.nih.gov/pubmed/36506595 http://dx.doi.org/10.1155/2022/3945063 |
work_keys_str_mv | AT wenlingmiao exploringthemechanismofactionoftrachelospermicaulisetfoliumfordepressionbasedonexperimentscombiningnetworkpharmacologyandmoleculardocking AT fanyuqing exploringthemechanismofactionoftrachelospermicaulisetfoliumfordepressionbasedonexperimentscombiningnetworkpharmacologyandmoleculardocking AT xiongwei exploringthemechanismofactionoftrachelospermicaulisetfoliumfordepressionbasedonexperimentscombiningnetworkpharmacologyandmoleculardocking AT liuyanjun exploringthemechanismofactionoftrachelospermicaulisetfoliumfordepressionbasedonexperimentscombiningnetworkpharmacologyandmoleculardocking AT zhangtinglan exploringthemechanismofactionoftrachelospermicaulisetfoliumfordepressionbasedonexperimentscombiningnetworkpharmacologyandmoleculardocking AT weiguihua exploringthemechanismofactionoftrachelospermicaulisetfoliumfordepressionbasedonexperimentscombiningnetworkpharmacologyandmoleculardocking AT altamiranoalvin exploringthemechanismofactionoftrachelospermicaulisetfoliumfordepressionbasedonexperimentscombiningnetworkpharmacologyandmoleculardocking AT zhangtiane exploringthemechanismofactionoftrachelospermicaulisetfoliumfordepressionbasedonexperimentscombiningnetworkpharmacologyandmoleculardocking AT yanzhiyong exploringthemechanismofactionoftrachelospermicaulisetfoliumfordepressionbasedonexperimentscombiningnetworkpharmacologyandmoleculardocking |