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Screening natural raw materials and product development for improving insomnia based on network pharmacology and data mining.

Lizhi Yue, Qian Jiao, Junxiang Li, Yi Lu, Meiting Yi et al.
Other Medicine 2026
PubMed DOI PDF
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Study Design

अध्ययन प्रकार
laboratory/in vitro
हस्तक्षेप
Screening natural raw materials and product development for improving insomnia based on network pharmacology and data mining. Pinghe Sleep Aromatherapy Product containing sandalwood, lime, angelica sinensis, yilan, sage, and l
तुलनित्र
Placebo
प्रभाव की दिशा
Positive
पूर्वाग्रह का जोखिम
Unclear

Abstract

Insomnia, as one of the most common sleep problems, seriously affects the normal life and work of individuals. Aromatherapy is regarded as a promising alternative medicine for improving sleep quality. Based on network pharmacology and data mining, this study screened natural raw materials for improving insomnia. Then, we developed an aromatherapy product informed by the screening results and investigated its mechanism for improving insomnia through network pharmacology. Five core insomnia targets were identified through literature. 1600 candidate compounds and 1757 candidate herbs related to the target were matched using HERB and TCMSP databases. By comparing with the Catalogue of Used Cosmetic Materials (2021 edition), 597 kinds of usable candidate materials were selected, including 85 raw materials related to target MTNR1A, 86 raw materials related to target MTNR1B, 120 raw materials related to target HTR1A, 7 raw materials related to target GABRB2, and 582 raw materials related to target GABRA1. Then based on the screening results, we selected sandalwood, lime, angelica sinensis, yilan, sage and lavender to design Pinghe Sleep Aromatherapy Product to improve insomnia. Network pharmacological analysis revealed that the main ingredients of the Pinghe Sleep Aromatherapy Product are beta-sitosterol, stigmasterol, isorhamnetin, luteolin, tanshinone IIA, D-limonene, and linalool. It exerts improvement effects by influencing targets such as IL6, TNF, AKT1, CASP3, TP53, and VEGFA, regulating signaling pathways such as AGE-RAGE, neuroactive ligand-receptor interactions, the HIF-1 signaling pathway, and the calcium signaling pathway. This study provides an idea of raw material screening and product development, which can save product development cost and shorten product development cycle by using network pharmacology and data mining.

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Figures

Network pharmacology target identification for natural raw materials with potential efficacy against insomnia, showing compound-target interactions.

Figure 1.

Network pharmacology target identification for natural raw materials with potential efficacy against insomnia, showing compound-target interactions.

diagram
Protein-protein interaction network of the identified targets shared between selected aromatherapy compounds and insomnia-related pathways.

Figure 2.

Protein-protein interaction network of the identified targets shared between selected aromatherapy compounds and insomnia-related pathways.

diagram
Gene Ontology or KEGG pathway enrichment analysis for the insomnia-related targets of the screened natural aromatic compounds.

Figure 3.

Gene Ontology or KEGG pathway enrichment analysis for the insomnia-related targets of the screened natural aromatic compounds.

chart
Molecular docking visualization showing binding interactions between the top candidate aromatic compounds and key insomnia-related protein targets.

Figure 4.

Molecular docking visualization showing binding interactions between the top candidate aromatic compounds and key insomnia-related protein targets.

diagram
Data mining results revealing patterns in traditional formulations and compound combinations historically used for improving sleep quality.

Figure 5.

Data mining results revealing patterns in traditional formulations and compound combinations historically used for improving sleep quality.

chart
Compound screening and selection criteria diagram for developing the aromatherapy product formulation for insomnia management.

Figure 6.

Compound screening and selection criteria diagram for developing the aromatherapy product formulation for insomnia management.

flowchart
Formulation development process and quality assessment of the final aromatherapy product designed for improving insomnia.

Figure 7.

Formulation development process and quality assessment of the final aromatherapy product designed for improving insomnia.

diagram
In vitro or preliminary efficacy testing results for the developed aromatherapy formulation targeting insomnia improvement.

Figure 8.

In vitro or preliminary efficacy testing results for the developed aromatherapy formulation targeting insomnia improvement.

chart
Safety or cytotoxicity evaluation data for the natural raw materials selected for the insomnia aromatherapy product.

Figure 9.

Safety or cytotoxicity evaluation data for the natural raw materials selected for the insomnia aromatherapy product.

chart
Comprehensive pharmacological network integrating all identified compound-target-pathway relationships for the insomnia-focused natural product.

Figure 10.

Comprehensive pharmacological network integrating all identified compound-target-pathway relationships for the insomnia-focused natural product.

diagram
Summary of the optimized aromatherapy formulation composition and its proposed multi-target mechanism for improving sleep quality.

Figure 11.

Summary of the optimized aromatherapy formulation composition and its proposed multi-target mechanism for improving sleep quality.

diagram

Tables

Table 1

Gene symbolUniprot IDProtein name
MTNR1AP48039Melatonin receptor type 1A
MTNR1BP49286Melatonin receptor type 1B
HTR1AP089085-Hydroxytryptamine receptor 1A
GABRA1P14867Gamma-aminobutyric acid receptor subunit alpha-1
GABRB2P47870Gamma-aminobutyric acid receptor subunit beta-2

Table 2

NumberCompound IDCompound name
1HBIN014272Absinthin
2HBIN014467Acetylcholine
3HBIN014685Adeninenucleoside
4HBIN015253Allyl isothiocyanate
5HBIN021262Colchine
6HBIN021605Coumari
7HBIN021608Coumarin
8HBIN021843Cucurbitacin
9HBIN024964Elaterin
10HBIN026267Evodin
11HBIN030814Isohumulone A
12HBIN036930Nigakilactone D
13HBIN037286(−)-Noradrenaline
14HBIN037638Obaculactone
15HBIN037644Obakulactone
16HBIN043778Serotonine

Table 3

NumberCompound IDCompound name
1HBIN014272Absinthin
2HBIN014467Acetylcholine
3HBIN014685Adeninenucleoside
4HBIN015253Allyl isothiocyanate
5HBIN021262Colchine
6HBIN021605Coumari
7HBIN021608Coumarin
8HBIN021843Cucurbitacin
9HBIN024964Elaterin
10HBIN026267Evodin
11HBIN030814Isohumulone A
12HBIN036930Nigakilactone D
13HBIN037286(−)-Noradrenaline
14HBIN037638Obaculactone
15HBIN037644Obakulactone
16HBIN043778Serotonine

Table 4

NumberCompound IDCompound Name
1HBIN00153814-O-cinnamoylneoline
2HBIN0019771,7,8,10,11,12,13,14,15,17,-Decahydro-decahydro-17-(2-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2H-cyclopenta [α] penanthrene-3(6H,9H,14H)-one
3HBIN0083483-Buten-2-one,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)
4HBIN0117715-Methoxy-n-methyltryptamine
5HBIN014272Absinthin
6HBIN014467Acetylcholine
7HBIN015253Allyl isothiocyanate
8HBIN015834Amentoflavone
9HBIN017334Atropine
10HBIN020107Cephalin
11HBIN020174Cetylic acid
12HBIN021250Coixan A
13HBIN021252Coixan C
14HBIN021262Colchine
15HBIN021605Coumari
16HBIN021608Coumarin
17HBIN021843Cucurbitacin
18HBIN022519Cytidine
19HBIN024964Elaterin
20HBIN025875Ethyl aldehyde
21HBIN026267Evodin
22HBIN026399Fat
23HBIN027219Ganoderenic acid A
24HBIN027382Gastrin
25HBIN028518Guanine (1,7-dihydro-form)
26HBIN029342Hexose
27HBIN030047Immune globulin from
28HBIN030814Isohumulone A
29HBIN032185Kikemanine
30HBIN034423Mannose-B
31HBIN034776Mescaline
32HBIN035055Methyl-7-epiganoderate
33HBIN036930Nigakilactone d
34HBIN037061N-methyl-2-β-Hydroxypropyl piperidine
35HBIN037099(+)-N-methyl laurotetanine
36HBIN037100N-methyllaurotetanine
37HBIN037138N,N-dimethyl-5-methoxy tryptamine
38HBIN037286(−)-Noradrenaline
39HBIN037638Obaculactone
40HBIN037644Obakulactone
41HBIN039018Peanut acid
42HBIN042390(−)-Roemerine
43HBIN043778Serotonine
44HBIN044729Stearate
45HBIN044795Stephanthrine
46HBIN044799Stepholidine
47HBIN045566Tatarine
48HBIN045576TAU

Table 5

NumberCompound IDCompound name
1HBIN046831Trans-resveratrol
2HBIN030047Immune globulin from
3HBIN022632Dandelion game ethyl alcohol

Table 6

NumberMaterialsDegree value
1Fresh ginger128
2Chrysanthemum flower118
3Myrrh110
4Root of Chinese Thorowax102
5Villous amomum fruit99
6Perilla frutescens98
7Coriandri sativi herba91
8Chuanxiong rhizome90
9Peppermint86
10Officinal Magnolia Equivalent plant: Magnolia bilo82
11Leaf of Argy Wormwood77
12All-grass of Haichow Elsholtzia75
13Root and rhizome of Incised Notoptergium73
14All-grass of Fineleaf Schizonepeta70
15Common aucklandia root70
16Root of Ligulilobe sage64
17Root of Divaricate Saposhnikovia64
18Shrub chastetree fruit64
19Medicil evodia fruit60
20Honeysuckle flower60
21Sweet wormwood herb60
22Dried ginger59
23Oily wood of Agalloch Eaglewood58
24Taproot angelica56
25Cassia bark56
26Leafy twigs of Oriental Arborvitae56
27Loquat leaf55
28Fructus corni55
29Combined spicebush root54
30Ginkgo folium54
31Ligustici rhizoma et radix54
32Fruit of Glossy privet53
33Rhizome of Nutgrass Galingale53
34Common cnidium fruit53
35Mulberry leaf51
36Pepper fruit50
37Rubi fructus49
38Pricklyash peel49
39Fruit of seabuckthorn49
40Ginseng49
41Clove48
42Alpiniae officirum rhizome47
43Grassleaf sweetflag rhizome47
44Hempleaf negundo chastetree leaf46
45Pogostemon cablin44
46Frankincense44
47Fortune eupatorium herb43
48Solidaginis herba43
49Zedoray rhizome42
50Fruit of Siberian Cockleblur42

Table 7

NumberGeneDegree value
1AKT182
2TNF70
3IL668
4CASP366
5TP5362
6VEGFA62
7MMP956
8PPARG54
9NOS352
10IL1052
11APP50
12ERBB250
13CASP850
14EDN148
15MAPK148
16MMP248
17ESR146
18GSK3B46
19CCND146
20HMOX146
21IFNG46
22TGFB146
23ICAM144
24NOS242
25IL242

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