Investigating the pharmaceutical substances and action mechanisms of Changmaxifeng granules against tic disorders Article Swipe
LI Dong-xie
,
Jian Ping Wu
,
Shu Sen Liu
,
Zheng Zong
,
Yang Hu
,
Na Ling
,
Bing Han
,
Wen-Lan Li
,
Hong Yan Yao
·
YOU?
·
· 2025
· Open Access
·
· DOI: https://doi.org/10.5498/wjp.v15.i12.112055
YOU?
·
· 2025
· Open Access
·
· DOI: https://doi.org/10.5498/wjp.v15.i12.112055
BACKGROUND Tic disorders (TDs) are a type of neurological and psychiatric disorder characterized by vocal or motor tics in the head, body, or limbs. Clinical studies have shown that Changmaxifeng granules (CG) can treat TDs. However, the pharmaceutical substances and mechanism of action of CG remain unclear. AIM To investigate the pharmaceutical substances and action mechanisms of CG against TDs, this study employs serum medicinal chemistry, network pharmacology, and molecular docking analysis. METHODS Ultrahigh-performance liquid chromatography with quadrupole time-of-flight mass spectrometry was used to identify the blood-absorbed constituents of CG; Network pharmacology was then used to integrate these compounds with disease targets, followed by protein-protein interaction (PPI) networks analysis to pinpoint key proteins. Finally, Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses combined with molecular docking elucidated the underlying mechanism of action. RESULTS Overall, 187 chemical components, including terpenoids, sugars, phenolic acids, and flavonoids, were identified in vitro. In addition, 75 components, namely 49 prototype components and 26 metabolites, were identified in vivo . The PPI results revealed 225 overlapping targets, with TNF, IL-6, FOS, VEGFA, and ESR1 being the major targets. GO and KEGG analyses were performed to identify key signaling pathways and biological processes. Paeonol, evofolin B, aspalathin, and paeoniflorin were identified as potential pharmacodynamic substances based on the results of the “compound-target” network. The maximum binding energy between the core target and the active ingredient was less than -4.7 kcal/mol, indicating that the pharmacophore exhibited a strong affinity toward the core ingredient. CONCLUSION This study elucidated the in vitro and in vivo chemical components of CG and outlined their potential targets and action mechanisms. This study provides a basis for further research into the action mechanism and clinical application of CG.
Related Topics
Concepts
KEGG
Pharmacophore
Mechanism of action
Computational biology
Pharmacology
In silico
Paeoniflorin
Chemistry
Systems pharmacology
Docking (animal)
Mode of action
Galangin
Liquid chromatography–mass spectrometry
Mechanism (biology)
Chemical space
Virtual screening
Active ingredient
Biochemistry
Biology
Structure–activity relationship
PubChem
Drug discovery
Metadata
- Type
- article
- Landing Page
- https://doi.org/10.5498/wjp.v15.i12.112055
- OA Status
- diamond
- References
- 35
- OpenAlex ID
- https://openalex.org/W7106541702
All OpenAlex metadata
Raw OpenAlex JSON
- OpenAlex ID
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https://openalex.org/W7106541702Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.5498/wjp.v15.i12.112055Digital Object Identifier
- Title
-
Investigating the pharmaceutical substances and action mechanisms of Changmaxifeng granules against tic disordersWork title
- Type
-
articleOpenAlex work type
- Publication year
-
2025Year of publication
- Publication date
-
2025-11-25Full publication date if available
- Authors
-
LI Dong-xie, Jian Ping Wu, Shu Sen Liu, Zheng Zong, Yang Hu, Na Ling, Bing Han, Wen-Lan Li, Hong Yan YaoList of authors in order
- Landing page
-
https://doi.org/10.5498/wjp.v15.i12.112055Publisher landing page
- Open access
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YesWhether a free full text is available
- OA status
-
diamondOpen access status per OpenAlex
- OA URL
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https://doi.org/10.5498/wjp.v15.i12.112055Direct OA link when available
- Concepts
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KEGG, Pharmacophore, Mechanism of action, Computational biology, Pharmacology, In silico, Paeoniflorin, Chemistry, Systems pharmacology, Docking (animal), Mode of action, Galangin, Liquid chromatography–mass spectrometry, Mechanism (biology), Chemical space, Virtual screening, Active ingredient, Biochemistry, Biology, Structure–activity relationship, PubChem, Drug discoveryTop concepts (fields/topics) attached by OpenAlex
- Cited by
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0Total citation count in OpenAlex
- References (count)
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35Number of works referenced by this work
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| abstract_inverted_index.CG; | 89 |
| abstract_inverted_index.PPI | 170 |
| abstract_inverted_index.The | 169, 221 |
| abstract_inverted_index.Tic | 1 |
| abstract_inverted_index.and | 9, 39, 53, 68, 117, 122, 147, 161, 181, 188, 198, 205, 229, 257, 264, 269, 284 |
| abstract_inverted_index.are | 4 |
| abstract_inverted_index.can | 32 |
| abstract_inverted_index.for | 277 |
| abstract_inverted_index.key | 111, 195 |
| abstract_inverted_index.the | 19, 36, 50, 85, 132, 184, 215, 218, 226, 230, 240, 247, 254, 281 |
| abstract_inverted_index.was | 81, 92, 233 |
| abstract_inverted_index.(CG) | 31 |
| abstract_inverted_index.(GO) | 116 |
| abstract_inverted_index.-4.7 | 236 |
| abstract_inverted_index.ESR1 | 182 |
| abstract_inverted_index.FOS, | 179 |
| abstract_inverted_index.Gene | 114 |
| abstract_inverted_index.KEGG | 189 |
| abstract_inverted_index.TDs, | 59 |
| abstract_inverted_index.TDs. | 34 |
| abstract_inverted_index.TNF, | 177 |
| abstract_inverted_index.This | 251, 272 |
| abstract_inverted_index.core | 227, 248 |
| abstract_inverted_index.have | 26 |
| abstract_inverted_index.into | 280 |
| abstract_inverted_index.less | 234 |
| abstract_inverted_index.mass | 79 |
| abstract_inverted_index.than | 235 |
| abstract_inverted_index.that | 28, 239 |
| abstract_inverted_index.then | 93 |
| abstract_inverted_index.this | 60 |
| abstract_inverted_index.tics | 17 |
| abstract_inverted_index.type | 6 |
| abstract_inverted_index.used | 82, 94 |
| abstract_inverted_index.vivo | 167, 259 |
| abstract_inverted_index.were | 149, 164, 191, 207 |
| abstract_inverted_index.with | 76, 99, 128, 176 |
| abstract_inverted_index.(PPI) | 106 |
| abstract_inverted_index.(TDs) | 3 |
| abstract_inverted_index.Genes | 121 |
| abstract_inverted_index.IL-6, | 178 |
| abstract_inverted_index.Kyoto | 118 |
| abstract_inverted_index.based | 213 |
| abstract_inverted_index.basis | 276 |
| abstract_inverted_index.being | 183 |
| abstract_inverted_index.body, | 21 |
| abstract_inverted_index.head, | 20 |
| abstract_inverted_index.major | 185 |
| abstract_inverted_index.motor | 16 |
| abstract_inverted_index.serum | 63 |
| abstract_inverted_index.shown | 27 |
| abstract_inverted_index.study | 61, 252, 273 |
| abstract_inverted_index.their | 266 |
| abstract_inverted_index.these | 97 |
| abstract_inverted_index.treat | 33 |
| abstract_inverted_index.vitro | 256 |
| abstract_inverted_index.vocal | 14 |
| abstract_inverted_index.(KEGG) | 124 |
| abstract_inverted_index.VEGFA, | 180 |
| abstract_inverted_index.acids, | 146 |
| abstract_inverted_index.action | 42, 54, 270, 282 |
| abstract_inverted_index.active | 231 |
| abstract_inverted_index.energy | 224 |
| abstract_inverted_index.limbs. | 23 |
| abstract_inverted_index.liquid | 74 |
| abstract_inverted_index.namely | 157 |
| abstract_inverted_index.remain | 45 |
| abstract_inverted_index.strong | 244 |
| abstract_inverted_index.target | 228 |
| abstract_inverted_index.toward | 246 |
| abstract_inverted_index.vitro. | 152 |
| abstract_inverted_index.Genomes | 123 |
| abstract_inverted_index.METHODS | 72 |
| abstract_inverted_index.Network | 90 |
| abstract_inverted_index.RESULTS | 137 |
| abstract_inverted_index.action. | 136 |
| abstract_inverted_index.against | 58 |
| abstract_inverted_index.between | 225 |
| abstract_inverted_index.binding | 223 |
| abstract_inverted_index.disease | 100 |
| abstract_inverted_index.docking | 70, 130 |
| abstract_inverted_index.employs | 62 |
| abstract_inverted_index.further | 278 |
| abstract_inverted_index.maximum | 222 |
| abstract_inverted_index.network | 66 |
| abstract_inverted_index.results | 171, 216 |
| abstract_inverted_index.studies | 25 |
| abstract_inverted_index.sugars, | 144 |
| abstract_inverted_index.targets | 268 |
| abstract_inverted_index.Clinical | 24 |
| abstract_inverted_index.Finally, | 113 |
| abstract_inverted_index.However, | 35 |
| abstract_inverted_index.Ontology | 115 |
| abstract_inverted_index.Overall, | 138 |
| abstract_inverted_index.Paeonol, | 201 |
| abstract_inverted_index.affinity | 245 |
| abstract_inverted_index.analyses | 126, 190 |
| abstract_inverted_index.analysis | 108 |
| abstract_inverted_index.chemical | 140, 260 |
| abstract_inverted_index.clinical | 285 |
| abstract_inverted_index.combined | 127 |
| abstract_inverted_index.disorder | 11 |
| abstract_inverted_index.evofolin | 202 |
| abstract_inverted_index.followed | 102 |
| abstract_inverted_index.granules | 30 |
| abstract_inverted_index.identify | 84, 194 |
| abstract_inverted_index.network. | 220 |
| abstract_inverted_index.networks | 107 |
| abstract_inverted_index.outlined | 265 |
| abstract_inverted_index.pathways | 197 |
| abstract_inverted_index.phenolic | 145 |
| abstract_inverted_index.pinpoint | 110 |
| abstract_inverted_index.provides | 274 |
| abstract_inverted_index.research | 279 |
| abstract_inverted_index.revealed | 172 |
| abstract_inverted_index.targets, | 101, 175 |
| abstract_inverted_index.targets. | 186 |
| abstract_inverted_index.unclear. | 46 |
| abstract_inverted_index.addition, | 154 |
| abstract_inverted_index.analysis. | 71 |
| abstract_inverted_index.compounds | 98 |
| abstract_inverted_index.disorders | 2 |
| abstract_inverted_index.exhibited | 242 |
| abstract_inverted_index.including | 142 |
| abstract_inverted_index.integrate | 96 |
| abstract_inverted_index.kcal/mol, | 237 |
| abstract_inverted_index.mechanism | 40, 134, 283 |
| abstract_inverted_index.medicinal | 64 |
| abstract_inverted_index.molecular | 69, 129 |
| abstract_inverted_index.performed | 192 |
| abstract_inverted_index.potential | 210, 267 |
| abstract_inverted_index.proteins. | 112 |
| abstract_inverted_index.prototype | 159 |
| abstract_inverted_index.signaling | 196 |
| abstract_inverted_index.BACKGROUND | 0 |
| abstract_inverted_index.CONCLUSION | 250 |
| abstract_inverted_index.biological | 199 |
| abstract_inverted_index.chemistry, | 65 |
| abstract_inverted_index.components | 160, 261 |
| abstract_inverted_index.elucidated | 131, 253 |
| abstract_inverted_index.enrichment | 125 |
| abstract_inverted_index.identified | 150, 165, 208 |
| abstract_inverted_index.indicating | 238 |
| abstract_inverted_index.ingredient | 232 |
| abstract_inverted_index.mechanisms | 55 |
| abstract_inverted_index.processes. | 200 |
| abstract_inverted_index.quadrupole | 77 |
| abstract_inverted_index.substances | 38, 52, 212 |
| abstract_inverted_index.underlying | 133 |
| abstract_inverted_index.application | 286 |
| abstract_inverted_index.aspalathin, | 204 |
| abstract_inverted_index.components, | 141, 156 |
| abstract_inverted_index.flavonoids, | 148 |
| abstract_inverted_index.ingredient. | 249 |
| abstract_inverted_index.interaction | 105 |
| abstract_inverted_index.investigate | 49 |
| abstract_inverted_index.mechanisms. | 271 |
| abstract_inverted_index.overlapping | 174 |
| abstract_inverted_index.psychiatric | 10 |
| abstract_inverted_index.terpenoids, | 143 |
| abstract_inverted_index.Encyclopedia | 119 |
| abstract_inverted_index.constituents | 87 |
| abstract_inverted_index.metabolites, | 163 |
| abstract_inverted_index.neurological | 8 |
| abstract_inverted_index.paeoniflorin | 206 |
| abstract_inverted_index.pharmacology | 91 |
| abstract_inverted_index.spectrometry | 80 |
| abstract_inverted_index.Changmaxifeng | 29 |
| abstract_inverted_index.characterized | 12 |
| abstract_inverted_index.pharmacology, | 67 |
| abstract_inverted_index.pharmacophore | 241 |
| abstract_inverted_index.blood-absorbed | 86 |
| abstract_inverted_index.chromatography | 75 |
| abstract_inverted_index.pharmaceutical | 37, 51 |
| abstract_inverted_index.time-of-flight | 78 |
| abstract_inverted_index.pharmacodynamic | 211 |
| abstract_inverted_index.protein-protein | 104 |
| abstract_inverted_index.Ultrahigh-performance | 73 |
| abstract_inverted_index.“compound-target” | 219 |
| cited_by_percentile_year | |
| countries_distinct_count | 0 |
| institutions_distinct_count | 9 |
| citation_normalized_percentile.value | 0.83840456 |
| citation_normalized_percentile.is_in_top_1_percent | False |
| citation_normalized_percentile.is_in_top_10_percent | True |