Central nervous system diseases are major causes of disability and death, with persistent activation of neuroinflammation and glial functional imbalance being one of the common pathological features. As important bioactive constituents of traditional Chinese medicine (TCM), TCM polysaccharides, possess multiple biological activities, including immunomodulatory, anti-inflammatory, antioxidant, anti-apoptotic, and autophagy-regulating effects. They have shown potential neuroprotective effects in Alzheimer’s disease, Parkinson’s disease, multiple sclerosis, depression, cerebral ischemia-reperfusion injury, and other central nervous system diseases. Current evidence indicates that TCM polysaccharides can ameliorate aberrant glial responses and glia-mediated neuroinflammatory injury by regulating microglial activation and polarization, phagocytosis and pathological clearance, and autophagy-lipid droplet metabolism, maintaining astrocyte homeostasis, and promoting oligodendrocyte lineage differentiation and remyelination. The underlying mechanisms involve multiple signaling pathways, including nuclear factor-κB (NF-κB), nucleotide-binding oligomerization domain-like receptor protein 3 (NLRP3), phosphatidylinositol-3-hydroxykinase (PI3K)/protein kinase B (Akt), etc. Overall, TCM polysaccharides exert multi-target and multi-level regulatory characteristics on glial cells, which constitutes an important mechanistic basis for timproving central nervous system diseases. Future studies should further strengthen polysaccharide structural characterization, target validation, and clinical translational research to provide evidence for elucidating its neuroprotective mechanism and promoting application development.

Calcium ion (Ca²⁺), as a crucial second messenger in plant cells, plays a central role in sensing and responding to heavy metal stress. This review systematically summarizes recent advances in the dual regulatory mechanisms of Ca²⁺signaling for the uptake and tolerance of heavy metals such as cadmium and lead. On the one hand, heavy metals can trigger specific Ca²⁺ signatures-transient elevations or characteristic oscillations—through three pathways: direct activation of Ca²⁺ channels, indirect induction of reactive oxygen species (ROS)bursts, and disruption of Ca²⁺ homeostasis. On the other hand, these spatiotemporally distinct Ca²⁺ signals are decoded by sensors including calmodulin, calcium-dependent protein kinases, and calcineurin B-like protein (CBL)-CBL-interacting protein kinase (CIPK) complexes, which then precisely regulate the expression and activity of heavy metal transporters, such as CNGCs and NRAMPs, through transcriptional and post-translational modifications. This enables a dual regulatory mode-suppressing uptake, promoting efflux, or vacuolar sequestration-while concurrently activating antioxidant and chelation-based detoxification pathways to maintain ion homeostasis and redox balance. Furthermore, arbuscular mycorrhizal fungi symbiosis can synergistically modulate plant metal uptake and tolerance by reshaping the spatiotemporal patterns of host Ca²⁺ signals, altering ion transport profiles, and enhancing detoxification pathways. In conclusion, this review emphasizes that the Ca²⁺ pathway-centered “perception-decoding-execution” network is key to regulating heavy metal uptake in plants. Future research should focus on identifying metal-specific Ca²⁺ fingerprints, functionally validating key channels and decoding modules, and developing applications combined with rhizosphere microbial interventions, thereby providing theoretical and technical support for low-heavy-metal-accumulation cultivation of medicinal plants and crops, as well as for soil remediation.

The quality and safety of Chinese medicinal materials are the lifeline for the sustainable development of the traditional Chinese medicine (TCM) industry. Establishing a traceability system for Chinese medicinal materials is a core means to solve the problem of whole-chain quality control and achieve quality supervision, which is of great significance for maintaining the brand image of authentic medicinal materials and regulating the order of the medicinal materials market. At present, China’s traceability system for Chinese medicinal materials has integrated key technologies such as the Internet of Things, blockchain, big data, and AI, and has built a full-chain information management system covering “cultivation-processing-circulation-use”. Pilot projects in multiple regions have verified its application value, and the industry has entered a stable development stage of multi-technology collaboration. However, existing research and practice still face key controversies and deficiencies: technical coordination problems such as large differences in information dimensions among research and development institutions and disconnected traceability information across multiple links, subject awareness problems such as weak self-supervision awareness among business operators, cost and data problems such as high information collection costs and high barriers to participation for small and medium-sized entities, and industry standardization problems such as the lack of unified national data standards and imperfect regulatory mechanisms. These issues lead to limited coverage of the traceability system, the continued existence of counterfeit and substandard medicinal materials, and an urgent need to enhance the ability to trace back to the source and recall problematic products. The purpose of this study is to systematically review the development history and policy evolution of the traceability system for Chinese medicinal materials, summarize its core functions, key technology integration application logic, and typical pilot achievements, and propose targeted optimization suggestions for current deficiencies. The research structure analyzes the problem from the “root-amplification-ultimate” logical chain of Chinese medicinal material quality safety, then elaborates on the development and construction status of the traceability system, subsequently analyzes the challenges faced and proposes feasible countermeasures, and finally looks forward to future development directions. The study finds that the construction of the traceability system for Chinese medicinal materials needs to focus on standardization, intelligence, inclusiveness, and globalization as core directions. By formulating unified metadata standards, deepening multi-technology integration, constructing a “government subsidies + insurance linkage + brand premium” cost model, and improving diversified co-governance regulatory mechanisms, industry pain points can be resolved. In the future, further focus should be placed on differentiated traceability schemes for different categories of Chinese medicinal materials, low-cost implementation paths for multi-technology integration, correlation analysis between traceability data and clinical efficacy, and other directions, to promote deep integration of academic achievements and industrial applications, making the traceability system for Chinese medicinal materials a solid support for ensuring the quality and safety of Chinese medicinal materials and promoting the inheritance, innovation, and development of TCM.

Objective To investigate the chemical constituents of the n-butanol fraction of Patrinia villosa. Methods The compounds were isolated and purified by various chromatographic techniques including silica gel, ODS, Sephadex LH-20 gel, and semi-preparative HPLC, and their structures were elucidated by analysis of spectroscopic data. The anti-inflammatory activities were evaluated by against NO production from lipopolysaccharide (LPS)-stimulated RAW264.7 cells. Results A total of 14 compounds were isolated from the n-butanol fraction of P. villosa ethanol extract and identified as (2E,5R,6R)-5,8-dihydroxy-2,6-dimethyl-2-octenoic acid (1), (2E,5R,6R)-8-acetoxy-5-hydroxy-2,6-dimethyl-2-octenoic acid (2), (2E,6R)-8-hydroxy-2,6-dimethyl-2-octenoic acid (3), (6R,7E,9R)-9-hydroxy-4,7-megastigmadien-3-one (4), ethyl chlorogenate (5), ethyl caffeate (6), dihydrosyringenin (7), 7S,8S-threo-4,7,9,9'-tetrahydroxy-3,3'-dimethoxy-8-O-4'-neolignan (8), (+)-isolariciresinol (9), (7S,8R)-dihydrodehydrodiconiferyl alcohol (10), ceplignan (11), (+)-syringaresinol (12), salicifoliol (13), and 5-hydroxy-4-(4-hydroxyphenyl)-2(5H)-furanone hydroxy-butenolide (14). Compounds 1 and 2 are new compounds, and their NO inhibition rates at a concentration of 50 μmol/L were (6.16 ±1.41)% and (11.11 ±2.10)%, respectively. Conclusion Compounds 1 and 2 are new acyclic monoterpenoids, and namely patrivic acid B and 8-acetylpatrivic acid B. Compounds 3, 4, 10, 11 and 14 were isolated from P. villosa for the first time. Compounds 1 and 2 showed no significant anti-inflammatory activity.

Objective To investigate the chemical constituents from the inflorescences of Inula japonica and their in vitro anti-hepatocellular carcinoma activity. Methods The compounds were isolated and purified by multiple chromatographic techniques.. Their structures were identified by HRESIMS, NMR, IR, UV spectroscopic methods, and the absolute configurations of new compounds were determined by calculated NMR and ECD. The inhibitory effects of the compounds on the proliferation of HepG2 cells were evaluated by MTT assay and colony formation assay. Results Six sesquiterpenoid dimers were isolated from the ethyl acetate fraction of the 90% ethanol extract of I. japonica, among which compounds 1 (inujaponolide T) and 3 (inujaponolide U) were identified as new compounds. The bioactivity screening results showed that compounds 1—6exhibited potent cytotoxicity against HepG2 cells, with IC₅₀ values ranging from 2.61 to 13.94 μmol/L. Furthermore, compounds 1 and 3 inhibited the cell viability and reduced the colony formation of HepG2 cells in a dose-dependent manner. Conclusion Compounds 1 and 3 are new sesquiterpenoid dimers with anti-hepatocellular carcinoma activity, and may serve as potential antitumor lead compounds for further in-depth investigation.

Objective Utilize metabolomics techniques to analyze the changes in chemical components of raw and steamed Rhei Radix et Rhizoma and the differences in their blood-entering components, and to reveal the impact of processing on the material basis of Rhei Radix et Rhizoma. Methods UPLC-MS/MS technology was used to collect the chemical composition information of raw and steamed Rhei Radix et Rhizoma in vitro and in vivo. Identification was carried out by combining the characteristic fragment ions and fragmentation pathways of the compounds. Multivariate statistical analysis was combined to screen for differential markers. Results A total of 201 components were identified in both raw and steamed Rhei Radix et Rhizoma, including 45 anthraquinones, 43 tannins, 52 flavonoids, and 21 stilbenes, 12 phenolic acids, seven phenylpropanoids, three chromones, two aromatic aldehydes, and 16 other compounds. After steaming, 23 common components showed significant changes. Among them, seven components such as aloeemodin, gallic acid, and catechin were significantly upregulated (P < 0.05), and 16 components such as aloeemodin-1-O-β-D-glucopyranoside, sennoside A, and proanthocyanidins were significantly downregulated (P < 0.05). A total of 36 prototype components and 58 metabolites were identified in the drug-containing serum. 11 common components showed significant changes in raw and steamed Rhei Radix et Rhizoma compared with raw Rhei Radix et Rhizoma, the blood drug concentrations of some prototype and metabolite components in steamed Rhei Radix et Rhizoma increased. In particular, the blood concentration of the tannin monomer gallic acid, which is a prototype component entering the blood, and the blood concentration of prototype aglycone-type components increased. The relative content of some phase-Ⅱ metabolites of anthraquinones significantly increased. Conclusion The in-vitro and in-vivo metabolic profiles of raw and steamed Rhei Radix et Rhizoma have changed significantly. The differential components are mainly in anthraquinones, tannins, etc. Compared with raw Rhei Radix et Rhizoma, in steamed Rhei Radix et Rhizoma, most conjugated anthraquinones were converted into free anthraquinones, hydrolysable tannin polymers were decomposed into tannin monomers, and there was a dynamic transformation between condensed tannin components and flavonoid aglycone components. These conversions of components can provide a scientific basis for clarifying the material basis of the “different treatments for raw and steamed Rhei Radix et Rhizoma ”.

Objective To address the complex molecular structures and diverse ring systems characteristic of traditional Chinese medicine (TCM) compounds, this study aims to optimize the graph isomorphism network (GIN) to enhance its predictive capability for key molecular properties of TCM molecules. Methods Based on the GIN architecture, edge descriptors representing bond length strain and angle strain were introduced into the molecular graph, and multi-graph data were constructed by incorporating multiple favorable conformations, thereby developing a flexibility-ring enhanced graph neural network (FRGNN). The predictive performance of the proposed model on seven key molecular properties was evaluated using two TCM databases containing 37 822 molecules, and compared against three state-of-the-art (SOTA) graph neural network models and two basic graph neural network models. Results Compared with the second-best performing model, FRGNN achieved an average reduction of 8.63% in root mean square error across the seven property prediction tasks, for molecules containing polycyclic and macrocyclic structures, the predictive root mean square error was further reduced by 10.04%. Conclusion The proposed FRGNN model demonstrates superior performance over existing state-of-the-art models for small-molecule property prediction in the task of predicting key properties of TCM compounds, providing a novel and effective approach for the property prediction of complex natural products.

Objective In response to the traditional belief that the medicinal properties of Shengjiang (Zingiberis Rhizoma Recens, ZRR) change after processing, this study integrated electronic bionic sensing, gas chromatography-mass spectrometry (GC-MS), and molecular dynamics simulation techniques to systematically elucidate the dynamic changes in the volatile components of Sichuan-origin ZRR and its processed products [Ganjiang (Zingiberis Rhizoma, ZR), Paojiang (Zingiberis Rhizoma Praeparatum, ZRP), Jiangtan (Zingiberis Rhizoma Carbonisatum, ZRC)]. It also revealed the core molecular basis behind the pungency of ZRR and its interaction mechanism with the vanillin subtype 1 of the transient receptor potential vanilloid 1 (TRPV1). Methods Electronic tongue was utilized to establish a numerical evaluation model for the tastes of ZRR and its processed products, thereby clarifying the differences in odor between different samples. GC-MS was used to analyze the changes in volatile components of ZRR and its various processed products. Autodock-1.5.7 and Pymol were applied to perform molecular docking and visual analysis of the common components in these samples in relation to the pungent taste receptor TRPV1. Additionally, molecular dynamics simulations were conducted using the Gromacs 2022 software. Results Electronic tongue testing revealed significant differences in taste scores between ginger and its various processed products. GC-MS analysis demonstrated variations in the content and quantity of volatile components between ginger and its different processed products. A total of 15 chemical compounds were common to all products of ZRR, while 14 volatile compounds were unique to ZRR, eight to ZR, one to ZRP, and five to ZRC. Most of these compounds were terpenoids. The content of monoterpenoids decreased and the content of most sesquiterpenoids increased after ZRR was processed. the components of elemol and zingiberenol were converted into (−)-cis-β-elemene and α-curcumene. Molecular docking and dynamic simulation studies showed that compounds such as elemol and zingiberenol could form stable hydrogen bond networks with amino acid residues such as LEU-1383 and ILE-1441 on the 8GFA protein, with the binding mechanism being a combination of van der Waals forces, electrostatic interactions, and hydrogen bonds. Conclusion The pungency of ZRR significantly enhanced after processing, with sesquiterpenes likely serving as the primary material basis for this effect. These compounds bind to the TRPV1 receptor via stable hydrogen-bonding networks and van der Waals forces, thereby elucidating the scientific mechanism underlying the increased pungency post-processing.

Objective Based on the supramolecular “imprinting template” theory, this study integrates the matching frequency method, total statistical moment, and factor rotation method, combined with in vitro anti-tumor activity, to elucidate the pharmacodynamic material basis of Yuxingcao (Houttuynia cordata) volatile oil, providing a new approach for its quality evaluation and screening of potential pharmacodynamic-related component groups. Methods Volatile oil samples from 58 batches of H. cordata collected from different origins (S1—S58) were analyzed by GC-MS to establish fingerprints. The matching frequency method was employed to categorize “imprinting template” into structural “material units”. Total-statistical-moment parameters and information entropy were applied to verify the consistency of fingerprint characteristics before and after integration. Functional “material units” were extracted via factor rotation to construct a quality evaluation model to score each batch. The half maximal inhibitory concentration (IC₅₀) values of the 58 volatile oil batches against human lung adenocarcinoma A549 cells were determined using the CCK-8 assay, and Pearson correlation analysis was conducted to examine the relationship between the comprehensive scores and IC₅₀ values. Results The 58 batches were effectively reduced to an “imprinting template” consisting of 34 structural “material units” (A1—A34) by the matching frequency method. After integration, the average number of chromatographic peaks and information entropy decreased significantly (P < 0.01), while no significant differences were observed in the total zero-order moment, first-order moment, second-order moment, or information content. Factor rotation extracted eight characteristic common factors. Comprehensive scoring results showed higher scores for batches such as S16 and S54, and lower scores for batches such as S24 and S27. Pharmacodynamic experiments revealed significant differences in IC₅₀ values among batches (73.6—269.9 nL/mL). Correlation analysis confirmed a negative correlation between comprehensive scores and IC₅₀ values (r = −0.739, P < 0.01). Accordingly, structural “material units” with high contributions, including A34, A31, and A7, were preliminarily screened as potential pharmacodynamic component groups. Conclusion Based on the supramolecular “imprinting template” theory, this study categorized structural “material units” using the matching frequency method and verified the scientific validity of this division with the total statistical moment. Subsequently, functional “material units” were extracted via factor rotation to construct a comprehensive evaluation model, and the sample scores were correlated with anti-lung cancer activity. This approach preliminarily screened key structural “material units” in H. cordata volatile oil, indicating potential core pharmacodynamic component groups, and providing a basis for subsequent precise screening and validation.

Objective In order to improve the targeting release of gambogic acid, a folic acid-modified gambogic acid nanocrystals-phospholipid composite drug delivery system (GA-NCs@PL-FA) was designed and prepared, and its prescription process was optimized. The physicochemical properties, in vitro anti-hepatocarcinoma activity and in vivo tissue distribution characteristics of GA-NCs@PL-FA were investigated. Methods Gambogic acid nanocrystals (GA-NCs) were prepared by CO₂-assisted precipitation method, and then GA-NCs@PL-FA was constructed by thin film hydration method. The prescription process was optimized by single factor investigation and central composite design-response surface methodology (CCD-RSM). The microscopic morphology was observed by transmission electron microscopy (TEM), and the particle size, ζ potential, encapsulation efficiency, drug loading and stability were determined. The in vitro release behavior in pH 7.4, 6.5 phosphate buffer (PBS, containing 0.5% Tween 80) was investigated by dialysis bag method. The effects of different administration groups on the viability and migration ability of HepG2 cells were evaluated by cell counting kit-8 (CCK-8) method and cell scratch test. The content of gambogic acid in each tissue of tumor-bearing nude mice was determined by ultra-high performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS), and its tissue distribution and tumor tissue enrichment ability were analyzed. Results The GA-NCs@PL-FA was spherical, the particle size was (183.07 ±0.55) nm, the ζ potential was (−17.70 ±0.17) mV, the encapsulation efficiency and drug loading were (84.64 ±0.57)% and (4.33 ±0.07)%, respectively. The properties were stable after 7 d at 4, 25 ℃. In both release media, it showed obvious sustained release effect. In vitro experiments showed that compared with gambogic acid, GA-NCs and folic acid-free gambogic acid nanocrystals-phospholipid composite drug delivery system (GA-NCs@PL), GA-NCs@PL-FA had a stronger inhibitory effect on the proliferation and migration of HepG2 cells, and the half inhibitory concentration (IC₅₀) was reduced to 0.50 μg/mL. The tissue distribution test confirmed that GA-NCs@PL-FA could prolong the retention time of gambogic acid in vivo and promote its enrichment in tumor tissues, with good targeting. Conclusion The formulation and preparation process of GA-NCs@PL-FA were optimized. The system had uniform particle size, good drug loading performance, good sustained release effect and in vitro anti-hepatoma activity, and showed strong tumor tissue enrichment ability. It can provide reference for the development and clinical application of gambogic acid targeted preparations.