Anti-asthmatic fraction screening and mechanisms prediction of Schisandrae Sphenantherae Fructus based on a combined approach

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Abstract

Objective: Schisandrae Sphenantherae Fructus (SSF) is a traditional Chinese medicine used to treat coughs and pulmonary inflammatory diseases. However, the pharmacodynamic material basis and mechanisms for SSF in asthma treatment remain unclear. This study aims to screen the anti-asthmatic fraction and verify the pharmacodynamic material basis, predict the potential mechanism, and verify the interaction ability between compounds and core targets.

Methods: First, three fractions from SSF were compared in terms of composition, comparison, and anti-asthmatic effects. Then, the ultra-performance liquid chromatography-quadrupole/time-of-flight-mass spectrometry/mass spectrometry (UPLC-Q/TOF-MS/MS) strategy was used to identify the compounds from the active fraction, and the anti-asthmatic efficacy of the active fraction was further studied by the ovalbumin (OVA)-induced asthma murine model. Finally, network pharmacology and molecular methods were used to study the relationships between active compounds, core targets, and key pathways of PEF in asthma treatments.

Results: The petroleum ether fraction (PEF) of SSF showed better effects and could significantly diminish lung inflammation and mitigate the level of serum immunoglobulin E (IgE), interleukin (IL)-4, IL-5, IL-6, IL-13, and IL-17 in mice. A total of 26 compounds from the PEF were identified, among which the main compounds are lignans and triterpenes. Moreover, 21 active compounds, 129 overlap-ping targets, and 10 pathways were screened by network pharmacology tools. The top five core targets may play a great role in asthma treatment. Gene Ontology (GO) analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis suggested that the PEF can treat asthma by acting on multiple asthma pathological processes, including the IL-17 signaling pathway, T helper (Th) 17 cell differentiation, and the calcium signaling pathway. Molecular docking was performed to evaluate the interactions of the protein–ligand binding, and most docked complexes had a good binding ability.

Conclusion: The present results might contribute to exploring the active compounds with anti-asthmatic activity.

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Most cited references 69

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Author and article information

Contributors

Fan Li: URI : https://loop.frontiersin.org/people/1730177/overview

Bin Li: URI : https://loop.frontiersin.org/people/1575466/overview

Jiushi Liu: URI : https://loop.frontiersin.org/people/482105/overview

Xueping Wei: URI : https://loop.frontiersin.org/people/1629809/overview

Tingyan Qiang: URI : https://loop.frontiersin.org/people/1109929/overview

Xinlu Mu: URI : https://loop.frontiersin.org/people/1609027/overview

Yumeng Wang: URI : https://loop.frontiersin.org/people/1609022/overview

Bengang Zhang: URI : https://loop.frontiersin.org/people/1609021/overview

Haitao Liu: URI : https://loop.frontiersin.org/people/1579703/overview

Peigen Xiao: URI : https://loop.frontiersin.org/people/1262863/overview

Journal

Journal ID (nlm-ta): Front Pharmacol

Journal ID (iso-abbrev): Front Pharmacol

Journal ID (publisher-id): Front. Pharmacol.

Title: Frontiers in Pharmacology

Publisher: Frontiers Media S.A.

ISSN (Electronic): 1663-9812

Publication date (Electronic): 12 September 2022

Publication date Collection: 2022

Volume: 13

Electronic Location Identifier: 902324

Affiliations

[1] ¹ Key Laboratory of Bioactive Substances and Resources Utilization of Chinese Herbal Medicine , Institute of Medicinal Plant Development , Chinese Academy of Medical Sciences and Peking Union Medical College , Beijing, China

[2] ² Engineering Research Center of Traditional Chinese Medicine Resource , Peking Union Medical College , Institute of Medicinal Plant Development , Ministry of Education , Chinese Academy of Medical Sciences , Beijing, China

[3] ³ Animal Science and Technology College , Beijing University of Agriculture , Beijing, China

Author notes

Edited by: Liping Kang, National Resource Center for Chinese Materia Medica, China Academy of Chinese Medical Sciences, China

Reviewed by: Niyaz Ahmad, Imam Abdulrahman Bin Faisal University, Saudi Arabia

Zhihong Yao, Jinan University, China

Gui-Sheng Zhou, Nanjing University of Chinese Medicine, China

*Correspondence: Haitao Liu, htliu0718@ 123456126.com

This article was submitted to Ethnopharmacology, a section of the journal Frontiers in Pharmacology

Article

Publisher ID: 902324

DOI: 10.3389/fphar.2022.902324

PMC ID: 9511055

SO-VID: efcf6324-79d4-4150-83a6-7a9168cb6d1b

License:

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

History

Date received : 23 March 2022

Date accepted : 17 August 2022

Funding

Funded by: Chinese Academy of Medical Sciences , doi 10.13039/501100005150;

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Anti-asthmatic fraction screening and mechanisms prediction of Schisandrae Sphenantherae Fructus based on a combined approach

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Cytoscape: a software environment for integrated models of biomolecular interaction networks.

AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading.

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility.

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