Screening natural raw materials and product development for improving insomnia based on network pharmacology and data mining.
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.
Full Text
Figures
Figure 1.
Network pharmacology target identification for natural raw materials with potential efficacy against insomnia, showing compound-target interactions.
diagram
Figure 2.
Protein-protein interaction network of the identified targets shared between selected aromatherapy compounds and insomnia-related pathways.
diagram
Figure 3.
Gene Ontology or KEGG pathway enrichment analysis for the insomnia-related targets of the screened natural aromatic compounds.
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Figure 4.
Molecular docking visualization showing binding interactions between the top candidate aromatic compounds and key insomnia-related protein targets.
diagram
Figure 5.
Data mining results revealing patterns in traditional formulations and compound combinations historically used for improving sleep quality.
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Figure 6.
Compound screening and selection criteria diagram for developing the aromatherapy product formulation for insomnia management.
flowchart
Figure 7.
Formulation development process and quality assessment of the final aromatherapy product designed for improving insomnia.
diagram
Figure 8.
In vitro or preliminary efficacy testing results for the developed aromatherapy formulation targeting insomnia improvement.
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Figure 9.
Safety or cytotoxicity evaluation data for the natural raw materials selected for the insomnia aromatherapy product.
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Figure 10.
Comprehensive pharmacological network integrating all identified compound-target-pathway relationships for the insomnia-focused natural product.
diagram
Figure 11.
Summary of the optimized aromatherapy formulation composition and its proposed multi-target mechanism for improving sleep quality.
diagramTables
Table 1
| Gene symbol | Uniprot ID | Protein name |
|---|---|---|
| MTNR1A | P48039 | Melatonin receptor type 1A |
| MTNR1B | P49286 | Melatonin receptor type 1B |
| HTR1A | P08908 | 5-Hydroxytryptamine receptor 1A |
| GABRA1 | P14867 | Gamma-aminobutyric acid receptor subunit alpha-1 |
| GABRB2 | P47870 | Gamma-aminobutyric acid receptor subunit beta-2 |
Table 2
| Number | Compound ID | Compound name |
|---|---|---|
| 1 | HBIN014272 | Absinthin |
| 2 | HBIN014467 | Acetylcholine |
| 3 | HBIN014685 | Adeninenucleoside |
| 4 | HBIN015253 | Allyl isothiocyanate |
| 5 | HBIN021262 | Colchine |
| 6 | HBIN021605 | Coumari |
| 7 | HBIN021608 | Coumarin |
| 8 | HBIN021843 | Cucurbitacin |
| 9 | HBIN024964 | Elaterin |
| 10 | HBIN026267 | Evodin |
| 11 | HBIN030814 | Isohumulone A |
| 12 | HBIN036930 | Nigakilactone D |
| 13 | HBIN037286 | (−)-Noradrenaline |
| 14 | HBIN037638 | Obaculactone |
| 15 | HBIN037644 | Obakulactone |
| 16 | HBIN043778 | Serotonine |
Table 3
| Number | Compound ID | Compound name |
|---|---|---|
| 1 | HBIN014272 | Absinthin |
| 2 | HBIN014467 | Acetylcholine |
| 3 | HBIN014685 | Adeninenucleoside |
| 4 | HBIN015253 | Allyl isothiocyanate |
| 5 | HBIN021262 | Colchine |
| 6 | HBIN021605 | Coumari |
| 7 | HBIN021608 | Coumarin |
| 8 | HBIN021843 | Cucurbitacin |
| 9 | HBIN024964 | Elaterin |
| 10 | HBIN026267 | Evodin |
| 11 | HBIN030814 | Isohumulone A |
| 12 | HBIN036930 | Nigakilactone D |
| 13 | HBIN037286 | (−)-Noradrenaline |
| 14 | HBIN037638 | Obaculactone |
| 15 | HBIN037644 | Obakulactone |
| 16 | HBIN043778 | Serotonine |
Table 4
| Number | Compound ID | Compound Name |
|---|---|---|
| 1 | HBIN001538 | 14-O-cinnamoylneoline |
| 2 | HBIN001977 | 1,7,8,10,11,12,13,14,15,17,-Decahydro-decahydro-17-(2-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2H-cyclopenta [α] penanthrene-3(6H,9H,14H)-one |
| 3 | HBIN008348 | 3-Buten-2-one,4-(2,6,6-trimethyl-1-cyclohexen-1-yl) |
| 4 | HBIN011771 | 5-Methoxy-n-methyltryptamine |
| 5 | HBIN014272 | Absinthin |
| 6 | HBIN014467 | Acetylcholine |
| 7 | HBIN015253 | Allyl isothiocyanate |
| 8 | HBIN015834 | Amentoflavone |
| 9 | HBIN017334 | Atropine |
| 10 | HBIN020107 | Cephalin |
| 11 | HBIN020174 | Cetylic acid |
| 12 | HBIN021250 | Coixan A |
| 13 | HBIN021252 | Coixan C |
| 14 | HBIN021262 | Colchine |
| 15 | HBIN021605 | Coumari |
| 16 | HBIN021608 | Coumarin |
| 17 | HBIN021843 | Cucurbitacin |
| 18 | HBIN022519 | Cytidine |
| 19 | HBIN024964 | Elaterin |
| 20 | HBIN025875 | Ethyl aldehyde |
| 21 | HBIN026267 | Evodin |
| 22 | HBIN026399 | Fat |
| 23 | HBIN027219 | Ganoderenic acid A |
| 24 | HBIN027382 | Gastrin |
| 25 | HBIN028518 | Guanine (1,7-dihydro-form) |
| 26 | HBIN029342 | Hexose |
| 27 | HBIN030047 | Immune globulin from |
| 28 | HBIN030814 | Isohumulone A |
| 29 | HBIN032185 | Kikemanine |
| 30 | HBIN034423 | Mannose-B |
| 31 | HBIN034776 | Mescaline |
| 32 | HBIN035055 | Methyl-7-epiganoderate |
| 33 | HBIN036930 | Nigakilactone d |
| 34 | HBIN037061 | N-methyl-2-β-Hydroxypropyl piperidine |
| 35 | HBIN037099 | (+)-N-methyl laurotetanine |
| 36 | HBIN037100 | N-methyllaurotetanine |
| 37 | HBIN037138 | N,N-dimethyl-5-methoxy tryptamine |
| 38 | HBIN037286 | (−)-Noradrenaline |
| 39 | HBIN037638 | Obaculactone |
| 40 | HBIN037644 | Obakulactone |
| 41 | HBIN039018 | Peanut acid |
| 42 | HBIN042390 | (−)-Roemerine |
| 43 | HBIN043778 | Serotonine |
| 44 | HBIN044729 | Stearate |
| 45 | HBIN044795 | Stephanthrine |
| 46 | HBIN044799 | Stepholidine |
| 47 | HBIN045566 | Tatarine |
| 48 | HBIN045576 | TAU |
Table 5
| Number | Compound ID | Compound name |
|---|---|---|
| 1 | HBIN046831 | Trans-resveratrol |
| 2 | HBIN030047 | Immune globulin from |
| 3 | HBIN022632 | Dandelion game ethyl alcohol |
Table 6
| Number | Materials | Degree value |
|---|---|---|
| 1 | Fresh ginger | 128 |
| 2 | Chrysanthemum flower | 118 |
| 3 | Myrrh | 110 |
| 4 | Root of Chinese Thorowax | 102 |
| 5 | Villous amomum fruit | 99 |
| 6 | Perilla frutescens | 98 |
| 7 | Coriandri sativi herba | 91 |
| 8 | Chuanxiong rhizome | 90 |
| 9 | Peppermint | 86 |
| 10 | Officinal Magnolia Equivalent plant: Magnolia bilo | 82 |
| 11 | Leaf of Argy Wormwood | 77 |
| 12 | All-grass of Haichow Elsholtzia | 75 |
| 13 | Root and rhizome of Incised Notoptergium | 73 |
| 14 | All-grass of Fineleaf Schizonepeta | 70 |
| 15 | Common aucklandia root | 70 |
| 16 | Root of Ligulilobe sage | 64 |
| 17 | Root of Divaricate Saposhnikovia | 64 |
| 18 | Shrub chastetree fruit | 64 |
| 19 | Medicil evodia fruit | 60 |
| 20 | Honeysuckle flower | 60 |
| 21 | Sweet wormwood herb | 60 |
| 22 | Dried ginger | 59 |
| 23 | Oily wood of Agalloch Eaglewood | 58 |
| 24 | Taproot angelica | 56 |
| 25 | Cassia bark | 56 |
| 26 | Leafy twigs of Oriental Arborvitae | 56 |
| 27 | Loquat leaf | 55 |
| 28 | Fructus corni | 55 |
| 29 | Combined spicebush root | 54 |
| 30 | Ginkgo folium | 54 |
| 31 | Ligustici rhizoma et radix | 54 |
| 32 | Fruit of Glossy privet | 53 |
| 33 | Rhizome of Nutgrass Galingale | 53 |
| 34 | Common cnidium fruit | 53 |
| 35 | Mulberry leaf | 51 |
| 36 | Pepper fruit | 50 |
| 37 | Rubi fructus | 49 |
| 38 | Pricklyash peel | 49 |
| 39 | Fruit of seabuckthorn | 49 |
| 40 | Ginseng | 49 |
| 41 | Clove | 48 |
| 42 | Alpiniae officirum rhizome | 47 |
| 43 | Grassleaf sweetflag rhizome | 47 |
| 44 | Hempleaf negundo chastetree leaf | 46 |
| 45 | Pogostemon cablin | 44 |
| 46 | Frankincense | 44 |
| 47 | Fortune eupatorium herb | 43 |
| 48 | Solidaginis herba | 43 |
| 49 | Zedoray rhizome | 42 |
| 50 | Fruit of Siberian Cockleblur | 42 |
Table 7
| Number | Gene | Degree value |
|---|---|---|
| 1 | AKT1 | 82 |
| 2 | TNF | 70 |
| 3 | IL6 | 68 |
| 4 | CASP3 | 66 |
| 5 | TP53 | 62 |
| 6 | VEGFA | 62 |
| 7 | MMP9 | 56 |
| 8 | PPARG | 54 |
| 9 | NOS3 | 52 |
| 10 | IL10 | 52 |
| 11 | APP | 50 |
| 12 | ERBB2 | 50 |
| 13 | CASP8 | 50 |
| 14 | EDN1 | 48 |
| 15 | MAPK1 | 48 |
| 16 | MMP2 | 48 |
| 17 | ESR1 | 46 |
| 18 | GSK3B | 46 |
| 19 | CCND1 | 46 |
| 20 | HMOX1 | 46 |
| 21 | IFNG | 46 |
| 22 | TGFB1 | 46 |
| 23 | ICAM1 | 44 |
| 24 | NOS2 | 42 |
| 25 | IL2 | 42 |
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