Exploring the Therapeutic Mechanism of Platycladus Orientalis Leaves on Exercise-Induced Asthma Based on Network Pharmacology and Molecular Docking

doi:10.19894/j.issn.1000-0518.240397

Chinese Journal of Applied Chemistry ›› 2025, Vol. 42 ›› Issue (12): 1701-1710.DOI: 10.19894/j.issn.1000-0518.240397

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Exploring the Therapeutic Mechanism of Platycladus Orientalis Leaves on Exercise-Induced Asthma Based on Network Pharmacology and Molecular Docking

Peng WANG¹, Chao-Fa ZHANG¹(), Si-Jie LIANG²

^1.Sports Department，Xuzhou Medical University，Xuzhou 221000，China
^2.Affiliated Hospital，Xuzhou Medical University，Xuzhou 221000，China

Received:2024-12-06 Accepted:2025-11-07 Published:2025-12-01 Online:2025-12-30
Contact: Chao-Fa ZHANG
Supported by:
the Key Project of Jiangsu Provincial Health Commission(ZD2022064)

Abstract

Abstract:

This study uses network pharmacology and molecular docking techniques to investigate the therapeutic mechanism of platycladus orientalis leaves （side-bai-ye） on exercise-induced asthma， aiming to provide richer theoretical support and new strategies for the treatment of this disease. First， the chemical components of platycladus orientalis leaves were retrieved from the TCMSP database， and active components with therapeutic potential were screened. Gene Cards database was then used to identify potential targets associated with exercise-induced asthma， and the Venny 2.1.0 database was employed to determine the common action targets between platycladus orientalis leaves and exercise-induced asthma. Next， based on the common action targets， the “exercise-induced asthma-targets-platycladus orientalis components-pathways” interaction network was constructed using Cytoscape 3.9.1 software. Finally， the interaction network of common action targets was built using the String database， followed by kyoto encyclopedia of genes and genomes （KEGG） and gene ontology （GO） enrichment analysis using the Divid database. Molecular docking analysis was performed using AutoDock Tools 1.5.7 software to predict the binding modes and affinities between these molecules. The results showed that the effective active components of platycladus orientalis leaves mainly include Isorhamnetin， Kaempferol， and Quercetin. There are 103 common targets between platycladus orientalis leaves and exercise-induced asthma， with 23 core targets. GO and KEGG enrichment analyses suggest that platycladus orientalis leaves treat exercise-induced asthma by regulating cancer-related pathways， metabolic pathways， PI3K-Akt signaling， and other signaling pathways. Molecular docking analysis revealed that AKT1， TP53， BCL2， PTGS2， and CASP3 may be key targets for platycladus orientalis leaves in treating exercise-induced asthma， mediating the cancer-related pathways， metabolic pathways， and other signaling pathways through active components such as Isorhamnetin， Kaempferol， and Quercetin， thus exerting a multi-target and multi-pathway synergistic therapeutic effect. In vivo and in vitro experiments further confirmed that the active components of platycladus orientalis leaves can participate in the treatment process of exercise-induced asthma by regulating the expression of core target proteins.

Key words: Platycladus orientalis leaves, Exercise-induced asthma, Network pharmacology, Signaling pathways

CLC Number:

O651

Peng WANG, Chao-Fa ZHANG, Si-Jie LIANG. Exploring the Therapeutic Mechanism of Platycladus Orientalis Leaves on Exercise-Induced Asthma Based on Network Pharmacology and Molecular Docking[J]. Chinese Journal of Applied Chemistry, 2025, 42(12): 1701-1710.

Figures/Tables 11

References 11

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MOL ID	Molecule name	M_w	OB/%	DL
MOL002005	Hinokinin	354.38	56.5	0.64
MOL002032	DNOP	390.62	40.58	0.39
MOL000358	Beta-sitosterol	414.79	36.91	0.75
MOL002039	Isopimaric acid	302.50	36.19	0.28
MOL000422	Kaempferol	286.25	41.88	0.24
MOL000098	Quercetin	302.25	46.43	0.28

MOL ID	Molecule name	M_w	OB/%	DL
MOL002005	Hinokinin	354.38	56.5	0.64
MOL002032	DNOP	390.62	40.58	0.39
MOL000358	Beta-sitosterol	414.79	36.91	0.75
MOL002039	Isopimaric acid	302.50	36.19	0.28
MOL000422	Kaempferol	286.25	41.88	0.24
MOL000098	Quercetin	302.25	46.43	0.28

Rank	Target name	Degree	Betweenness	Closeness
1	AKT1	28	150.2	0.008 2
2	TP53	25	138.5	0.007 8
3	BCL2	22	125.7	0.007 5
4	PTGS2	20	118.9	0.007 1
5	CASP3	19	105.3	0.006 9
6	EGFR	17	92.1	0.006 5
7	SRC	16	88.7	0.006 3
8	MAPK3	15	85.4	0.006 1
9	ESR1	14	80.5	0.005 9
10	JAK2	13	76.8	0.005 7

Rank	Target name	Degree	Betweenness	Closeness
1	AKT1	28	150.2	0.008 2
2	TP53	25	138.5	0.007 8
3	BCL2	22	125.7	0.007 5
4	PTGS2	20	118.9	0.007 1
5	CASP3	19	105.3	0.006 9
6	EGFR	17	92.1	0.006 5
7	SRC	16	88.7	0.006 3
8	MAPK3	15	85.4	0.006 1
9	ESR1	14	80.5	0.005 9
10	JAK2	13	76.8	0.005 7

Pubchem CID	Ingredients	Target point	10^-4·Binding energy/（J·mol^-1）	PDB
442048	Isopimaric acid	AKT1	-4.14	7NHF
442048	Isopimaric acid	TP53	-3.43	3DCY
442048	Isopimaric acid	CASP3	-3.51	3DEI
5280863	Kaempferol	BCL2	-2.76	6GL8
5280863	Kaempferol	PTGS2	-3.22	5M2J

Exploring the Therapeutic Mechanism of Platycladus Orientalis Leaves on Exercise-Induced Asthma Based on Network Pharmacology and Molecular Docking

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Assay item	Group	AKT1	BCL2	PTGS2	TP53	CASP3
RT-PCR （mRNA）	Normal control group	-	-	-	-	-
	Model group	↑^*	↑^*	↑^*	↓^*	↓^*
	Active component treatment group	↓^**	↓^**	↓^**	↑^**	↑^**
Western blot	Normal control group	-	-	-	-	-
	Model group	↑^*	↑^*	↑^*	↓^*	↓^*
	Active component treatment group	↓^**，Active component Treatment group	↓^**，Dose-dependent	↓^**，Dose-dependent	↑^**，Dose-dependent	↑^**，Dose-dependent

Detection indicator	Group	Results （Compared to model group）	Trend/Conclusion
Lung function	Model group	FVC， FEV1， FEV1/FVC↓；Raw↑	Airway obstruction
Lung function	Active component Treatment group	FVC， FEV1， FEV1/FVC↑；Raw↓	Improved lung function， high dose > Low dose， combination group is best
BALF inflammatory factors	Model group	IL-4， IL-5， IL-13， TNF-α ↑	Exacerbated inflammatory response
BALF inflammatory factors	Active component Treatment group	IL-4， IL-5， IL-13， TNF-α ↓^*	Inhibited inflammatory factors
BALF inflammatory cells	Model group	Eosinophils %， Neutrophils % ↑	Inflammatory cell infiltration
BALF inflammatory cells	Active component Treatment group	Eosinophils %， Neutrophils % ↓^*	Reduced inflammatory cell infiltration
Lung tissue pathology	Model group	Epithelial damage， inflammatory infiltration， thickened airway wall， pathological score↑	Significant lung injury
Lung tissue pathology	Active component Treatment group	Injury alleviated， infiltration reduced， pathological score↓^*	Alleviated pathological damage
Immunohistochemistry （Lung tissue）	Model group	AKT1， BCL2， PTGS2 expression ↑； TP53， CASP3 expression ↓	Consistent with in vitro results
Immunohistochemistry （Lung tissue）	Active component treatment group	AKT1， BCL2， PTGS2 expression ↓； TP53， CASP3 expression ↑	Regulation of core target proteins

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