Component Of Traditional Chinese Medicine Research Articles

Prediction model for synergistic anti-tumor multi-compound combinations from traditional Chinese medicine based on extreme gradient boosting, targets and gene expression data.

Traditional Chinese medicine (TCM) is characterized by synergistic therapeutic effect involving multiple compounds and targets, which provide potential new therapy for the treatment of complex cancer conditions. However, the main contributors and the underlying mechanisms of synergistic TCM cancer therapies remain largely undetermined. Machine learning now provides a new approach to determine synergistic compound combinations from complex components of TCM. In this study, a prediction model based on extreme gradient boosting (XGBoost) algorithm was constructed by integrating gene expression data of different cancer cell lines, targets information of natural compounds and drug response data. Radix Paeoniae Rubra (RPR) was selected as a model herbal sample to evaluate the reliability of the constructed model. The optimal XGBoost prediction model achieved a good performance with Mean Square Error (MSE) of 0.66, Mean Absolute Error (MAE) of 0.61, and the Root Mean Squared Error (RMSE) of 0.81 on test dataset. The superior synergistic anti-tumor combinations of D15 (Paeonol[Formula: see text][Formula: see text][Formula: see text]Ethyl gallate) and D13 (Paeoniflorin[Formula: see text][Formula: see text][Formula: see text]Paeonol) were successfully predicted from RPR and experimentally validated on MCF-7 cells. Moreover, the combination of D13 could work as a main contributor to a synergistic anti-proliferative activity in the compatibility of RPR and Cortex Moutan (CM). Our XGBoost model could be a reliable tool for the efficient prediction of synergistic anti-tumor multi-compound combinations from TCM.

Integration strategy of network pharmacology in Traditional Chinese Medicine: a narrative review.

Traditional Chinese Medicine (TCM) has been extensively used as a mainstay for treating various pathologies. Combing the pharmacology and systems biology approaches, the network pharmacology (NP) approach was developed to predict the probable mechanism underlying the therapeutic effect of TCM. However, approaches solely based on NP cannot effectively elucidate the curative mechanism in a holistic and reliable manner due to limitations in NP-based methods and complexity of TCM components. Thus, integration strategies combining NP with other approaches are increasingly being used. Since the interdisciplinary research in TCM has received much attention in the advent of the big data era of which the NP-based integration strategy is broadly used, the strategy is clearly elaborated in the present review. We summarized several NP-based integration strategies and their applications in TCM studies, including multi-omics approach, gut microbiota study, chemical information analysis, data-mining, and network toxicology study.

Characterization of effective phytochemicals in traditional Chinese medicine by mass spectrometry.

Traditional Chinese medicines (TCMs) have been widely used in clinical and healthcare applications around the world. The characterization of the phytochemical components in TCMs is very important for studying the therapeutic mechanism of TCMs. In the analysis process, sample preparation and instrument analysis are key steps to improve analysis performance and accuracy. In recent years, chromatography combined with mass spectrometry (MS) has been widely used for the separation and detection of trace components in complex TCM samples. This article reviews various sample preparation techniques and chromatography-MS techniques, including the application of gas chromatography-MS and liquid chromatography-MS and other MS techniques in the characterization of phytochemicals in TCM materials and Chinese medicine products. This article also describes a new ambient ionization MS method for rapid and high-throughput analysis of TCM components.

Dual-spectrum online monitoring of puerarin and total flavonoids contents during the extraction process of Pueraria lobata

In the extraction process of traditional Chinese medicine (TCM), the rapid detection of the active components of TCM plays a vital role. We pioneered the choice of dual-spectrum technology based on near-infrared (NIR) and ultraviolet–visible (UV–Vis) spectra and applied it to the quantitative monitoring of online extraction of puerarin and total flavonoids from Pueraria lobata. An online monitoring system was constructed to fulfill the dual-spectrum online monitoring. The extraction solution flows from a flask into a pipeline under the control of a peristaltic pump, removing the solid residues contained in the solution with filters. When the extraction solution flows into the cuvette, it will be measured with NIR and UV–Vis portable spectrometers. After finishing the spectra collection, the peristaltic pump will reverse to push the extraction solution back to the flask. The partial least squares (PLS) models were established to quantitatively analyze puerarin and total flavonoids by NIR, UV–Vis, and dual-spectrum data. As for NIR, UV–Vis and dual-spectrum, the RMSEP (mg/mL) of the puerarin models were 0.0803, 0.0500, and 0.0351, and those of the total flavonoids models were 0.4373, 0.2402, and 0.1795, respectively. The results show that the dual-spectrum online monitoring system is simple, stable and fast (a few seconds) in operation, and accurate in prediction. Compared with individual NIR or UV–Vis spectra, the dual-spectra contains more comprehensive information, and the prediction ability is stronger. This method is expected to become a promising tool for the quantitative analysis of other traditional Chinese medicines.

Biosynthetic pathway of active components in traditional Chinese medicine and its application

中药活性成分是中药发挥药效的物质基础，也是创新药物的来源，主要提取自药用植物。但植物中药用活性成分含量低、结构类似物多、分离纯化困难等因素限制了中药活性成分的深入研究及开发应用。挖掘中药活性成分生物合成过程中的关键催化元件、解析其生物合成途径，不仅对探讨中药成药性机制、道地性形成具有重要指导意义，也为通过现代生物技术方法，进一步可持续开发和利用中药活性成分奠定基础。本文将重点阐述中药活性成分生物合成途径的研究思路及重点研究方向，并从其合成生物学与代谢工程两个方向的应用进行探讨，为中药活性成分的开发利用提供新的思路，推动中医药现代化研究。

Research methods and progress of effective components intraditional Chinese medicines

<p indent="0mm">The bioactive constituents responsible for the therapeutic effects of traditional Chinese medicines (TCMs) are called effective components. Elucidating the effective components is a crucial part of TCM modernization research. Because of the “multicomponent and multitarget” features of TCMs, it is challenging to reveal their effective components, particularly to analyze the chemical constituents and <italic>in vivo</italic> metabolites globally and to discover the bioactive compounds efficiently. In recent decades, Chinese scientists have innovatively explored and established a series of new research strategies and methodologies for TCM effective components. State-of-the-art techniques in analytical chemistry, cell and molecular biology, and computer science have been employed. In this review article, we summarized these methodologies and recent research progress. The review includes three parts: new methodologies for chemical analysis, <italic>in vivo</italic> metabolites analysis, and effective components discovery. Future research perspectives are also discussed.

Study on Supramolecules in Traditional Chinese Medicine Decoction.

With the application of the concept of supramolecular chemistry to various fields, a large number of supramolecules have been discovered. The chemical components of traditional Chinese medicine have various sources and unique structures. During the high-temperature boiling process, various active components form supramolecules due to complex interactions. The supramolecular structure in a traditional Chinese medicine decoction can not only be used as a drug carrier to promote the absorption and distribution of medicinal components but may also have biological activities superior to those of single active ingredients or their physical mixtures. By summarizing the relevant research results over recent years, this paper introduces the research progress regarding supramolecules in various decoctions, laying a foundation for further research into supramolecules in traditional Chinese medicine decoctions, and provides a new perspective for revealing the compatibility mechanisms of traditional Chinese medicine, guiding clinical medications, and developing new nanometers materials.

Comprehensive chemical profiling and potential chemical marker’s evaluation of Tribulus terrestris by UPLC-QTOF-MS in combination with ion mobility spectrometry

Analyzing the chemical components of traditional Chinese medicines containing multiple isomers is thorny. Here, an analytical strategy by using ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry coupled ion mobility spectrometry was applied to characterize the main compounds from the fruits of Tribulus terrestris, which significantly boosted the separation efficiency and broadened the capacity of chromatographic column. A total of 155 chemicals including 120 steroidal saponins, 13 flavonoids, 20 alkaloids and 2 ferulic acids were identified or tentatively identified using the propounded method. An α-glucosidase inhibition test was conducted to compare whether the aptness of Tribulus terrestris differed from different origins. The results indicated that the activity of Tribulus terrestris from Inner Mongolia was better than that from Jilin and Hebei. Principal component analysis was next employed to seek out the potential chemical markers among these Tribulus terrestris from three origins. There were 13 substances exist significant differences in content of Tribulus terrestris from the three producing areas. These significant differences involve 11 steroidal saponins and 2 alkaloids. Among them, Inner Mongolia possessed the highest contention of all the 11 saponins. This suggested steroidal saponins may emerge huge potential of α-glucosidase inhibition activity. In conclusion, the present study furnished the identification of chemical components of medical herbs with various isomers as well as disclosed the latent diabetes treatment potential of steroidal saponins in Tribulus terrestris.

Integrated approach toward absorption, distribution, metabolism, and excretion of Xiaoke pills in zebrafish based on UPLC-HRMS and DESI-MS techniques

Traditional Chinese medicine (TCM) has been used in clinical settings for over 2000 years in China. The study of the absorption, distribution, metabolism, and excretion (ADME) of TCM in vivo could be beneficial for the discovery of the active components in TCM. However, the conventional strategies used for ADME research are based on rodent models and have the characteristics of lengthy experimental periods, complex processes, and extensive data processing, which make it difficult to perform rapid analyses and high-throughput ADME screening of the medicinal components of TCM. In this study, an integrated high-throughput research strategy for the in vivo ADME analysis of TCM was established based on a zebrafish model. Accordingly, a combination of ultra-performance liquid chromatography-high-resolution mass spectrometry (UPLC-HRMS), desorption electrospray ionization-mass spectrometry (DESI-MS) imaging, and in-house non-targeted precise-and-thorough background-subtraction (PATBS) data post-processing techniques were successfully applied for the analysis of the metabolism of zebrafish exposed to Xiaoke pills. A total of 49 compounds related to Xiaoke pills (including 13 prototypical components and 36 metabolites) were detected in zebrafish. In total, 32 of them, including puerarin, daidzein, deoxyschizandrin, formononetin, and glibenclamide, which have been identified to have hypoglycemic activity in our previous studies and are phase I and phase II metabolites resulting from the hydroxylation, demethylation, glucuronidation, sulfation, and glycosylation of the prototypical components in vivo, were found in rats treated with Xiaoke pills. Furthermore, the overall distribution of the known compounds in zebrafish exposed to Xiaoke pills was explored using DESI-MS. In summary, this study provides a practical approach for the high-throughput screening of the active components of TCM using a zebrafish model.

Screening of differentially expressed genes in children with cerebral palsy and the construction of a network of the effective components of traditional Chinese medicine.

BackgroundThe study sought to construct a network of the effective components of traditional Chinese medicine (TCM) and potential therapeutic target genes of cerebral palsy based on data sets from high-throughput sequencing and the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP).MethodsA transcriptome sequencing data set (GSE183021) of blood samples from children with cerebral palsy was downloaded from the Gene Expression Omnibus (GEO) database. The differentially expressed genes (DEGs) between the cerebral palsy blood samples and control blood samples were screened. The TCM active components and target genes were identified from the TCMSP. We constructed a network of the active ingredients of TCM and the cerebral palsy DEGs.ResultsUsing a |log2 fold change| ≥1 and a false discovery rate <0.05 as the screening criteria for the blood samples of 5 children with cerebral palsy and 5 control participants, 399 DEGs were identified. In the cerebral palsy blood samples, 209 genes were upregulated, and 190 genes were downregulated. The effective components of Angelica sinensis, Shenjincao, and Achyranthes bidentata, targeted 158 genes, and 49 genes crossed with the cerebral palsy DEGs. A network was constructed with the active ingredients of Angelica sinensis, Shenjincao, and Achyranthes bidentata and the DEGs of the cerebral palsy as nodes. Interleukin (IL)-1β, IL-6, prostaglandin-endoperoxide synthase 1, tumor necrosis factor, estrogen receptor 1, and nitric oxide synthase 2 had a wide range of effects on the effective components of Angelica sinensis, Shenjincao, and Achyranthes bidentata.ConclusionsThe effective components of Angelica sinensis, Shenjincao, Achyranthes sinensis, and interact closely with the cerebral palsy DEGs. Based on the interaction network, the pharmacological mechanism of TCM in the treatment of cerebral palsy can be elucidated and new therapeutic targets discovered.

Paeoniflorin Rescued MK-801-Induced Schizophrenia–Like Behaviors in Mice via Oxidative Stress Pathway

Schizophrenia (SCZ) affects approximately 1% population worldwide, and the first-line antipsychotics have partial reactivity or non-reactivity with side effects. Therefore, there is an urgent need to find more effective drugs. Paeoniflorin (PF) is the main effective component of traditional Chinese medicine from white peony, red peony and peony bark, which acts as a neuroprotective agent. The purpose of this study was to investigate whether PF can rescue MK-801 induced schizophrenia-like behavior in mice. Our results demonstrated that intragastric administration of PF ameliorated MK-801 induced schizophrenia–like behaviors in mice as demonstrated by prepulse inhibition of acoustic startle response, fear conditioning test for memory and open field test for activity. In contrast, the first-line antipsychotics-olanzapine reversed the prepulse inhibition deficits and hyperactivities, but not memory deficits, in the model mice. Further analysis showed that PF reduced oxidative stress in the MK-801-treated mice, as evidenced by the increased superoxide dismutase levels and decreased malondialdehyde levels in the blood of the model mice. In addition, PF treatment inhibited the expression of the apoptotic protein Bax and restored the expression of tyrosine hydroxylase in the brains of the model mice. in vitro data indicated that PF protected against oxidative stress induced neurotoxicity in the primary cultured hippocampal neurons. In conclusion, our results were the first to provide evidence that PF rescued schizophrenia-like behaviors (both positive symptoms and cognitive impairments) in rodents through oxidative stress pathway, and therefore provide a novel strategy for treatment of SCZ. However, more pre-clinical and clinical research are needed to translate the present findings into clinics for a treatment of schizophrenia.

Deep Eutectic Solvents (DESs)-Ultrasonic-Assisted Extraction of Paeoniflorin and Paeonol from Moutan Cortex

Deep eutectic solvents (DESs-)-ultrasonic-assisted extraction technology was used to evaluate and optimize the extraction process of paeoniflorin and paeonol in Moutan Cortex. First of all, 10 kinds of choline chloride-based DESs were selected as potential extraction solvents, and the DES extraction effect of choline chloride: lactic acid was determined to be the best. Then, single-factor experiments were conducted to explore the effects of DES composition (molar ratio, water content, and ratio of material to liquid) and ultrasonic treatment (ultrasonic power, extraction time, extraction temperature, and vortex time) on the yield of paeoniflorin and paeonol in Moutan Cortex. On this basis, the response surface method was used to optimize the process of ultrasonic-assisted extraction of paeoniflorin and paeonol from Moutan Cortex with DESs. The results showed that the optimum process parameters of DESs-ultrasonic-assisted extraction of paeoniflorin and paeonol from Moutan Cortex were as follows: molar ratio of choline chloride to lactic acid was 1 : 2, water content was 30%, ratio of material to liquid was 1 : 30 (g/mL), ultrasonic power was 300 W, extraction time was 33 min, extraction temperature was 50°C, and vortex time was 5 min. Under these conditions, the yield sum of paeoniflorin and paeonol in the obtained Moutan Cortex was 9.279 mg/g. The difference between the experimental value and the theoretical value was 0.333 mg/g. The results showed that the response surface method can simulate and predict the yield of paeoniflorin and paeonol in Moutan Cortex under different extraction conditions, and it was feasible to optimize the process parameters. The results of this study show that DES has great potential to replace traditional solvents in the extraction of active components of the Moutan Cortex. The study on the extraction of active components of traditional Chinese medicine by DES is helpful to expand the scope of the application of DES in traditional Chinese medicine.

New Therapeutic Horizon of Graves' Hyperthyroidism: Treatment Regimens Based on Immunology and Ingredients From Traditional Chinese Medicine.

Graves’ disease is an autoimmune disease characterized by goiter and hyperthyroidism, and 25% patients develop GO. Traditional treatment options, such as antithyroid drugs, radioiodine or thyroidectomy, have remained largely unchanged over the past 70 years. For many patients, there is a high rate of recurrence after antithyroid drugs and lifelong hypothyroidism after ablation and thyroidectomy. The symptoms and quality of life of some patients have not been effectively improved. The clinical demand for new therapeutic regimens, coupled with a deeper understanding of the pathophysiology and immunobiology of Graves’ disease, has led to the emergence of several new therapeutic ideas, including biologics, small molecule peptides, immunomodulators and teprotumumab, a specific antibody targeting IGF-1R. Besides, the elements of TCM have attracted more and more interests in modern medicine, because some effective components have been successfully used in the treatment of autoimmune diseases. Based on the pathophysiology and efficacy of clinical management and treatment in Graves’ hyperthyroidism, here we review the new strategies under investigation and summarize the effective components of traditional Chinese medicine used for Graves’ hyperthyroidism, and explore their mechanisms. These therapies have opened a new window for the treatment of Graves’ disease, but the exact mechanism and the research direction still need to be further explored.

The clinical efficacy and safety research of Lianhuaqingwen (LHQW) in treatment of COVID-19: A systematic review and meta-analysis

BackgroundAlthough vaccines have been launched, COVID-19 has not been effectively curbed, and the number of infections is increasing. Compared with western medicine, Traditional Chinese Medicine has made some achievements in the treatment of COVID-19, which should be paid attention to and play a greater role. As a classical Chinese medicine prescription for treating pestilence, Lianhuaqingwen (LHQW) has gone to many countries with the Chinese medical team to participate in the local fight against the epidemic, which has been widely recognized. MethodsWe searched MEDLINE, EMBASE, AMED, Chchrane Central Register of Controlled Trials (CENTRAL), PubMed, Web of Science, Chinese National Knowledge Infrastructure (CNKI), VIP Information Database (VIP), Chinese Biomedical Literature Database (CBM), and Wanfang Database from inception up to November 24, 2021, which formed the basis for evidence used to formulate recommendations. Sixteen randomized controlled trials (RCTs) involving 1896 patients were enrolled. LHQW is a traditional Chinese medicine compound preparation, which contains 13 traditional Chinese medicine (TCM) components. Two dosage formulations of LHQW were included: granule and capsule. The most commonly used dosage formulation was granule (15/17, 88.24%), followed by capsule (2/17, 11.76%). ConclusionThis systematic review and Meta analysis suggested that, in the treatment of COVID-19, LHQW Capsule (Granule) could not only significantly improve the fever symptoms, shorten the fever time, but also reduce the cough and fatigue symptoms, improve the clinical efficiency, improve the lung CT, significantly reduce the number of patients with mild to severe diseases, and have certain anti-inflammatory effect. And there is no server adverse events which support the safety of LHQW Capsule (Granule) for the treatment of COVID-19. As a classic formula of TCM, LHQW Capsule (Granule) could be used as potential candidates for COVID-19 in this battle.

Sequential gastrodin release PU/n-HA composite scaffolds reprogram macrophages for improved osteogenesis and angiogenesis

Wound healing is a highly orchestrated process involving a variety of cells, including immune cells. Developing immunomodulatory biomaterials for regenerative engineering applications, such as bone regeneration, is an appealing strategy. Herein, inspired by the immunomodulatory effects of gastrodin (a bioactive component in traditional Chinese herbal medicine), a series of new immunomodulatory gastrodin-comprising biodegradable polyurethane (gastrodin-PU) and nano-hydroxyapatite (n-HA) (gastrodin-PU/n-HA) composites were developed. RAW 264.7 macrophages, rat bone marrow mesenchymal stem cells (rBMSCs), and human umbilical vein endothelial cells (HUVECs) were cultured with gastrodin-PU/n-HA containing different concentrations of gastrodin (0.5%, 1%, and 2%) to decipher their immunomodulatory effects on osteogenesis and angiogenesis in vitro. Results demonstrated that, compared with PU/n-HA, gastrodin-PU/n-HA induced macrophage polarization toward the M2 phenotype, as evidenced by the higher expression level of pro-regenerative cytokines (CD206, Arg-1) and the lower expression of pro-inflammatory cytokines (iNOS). The expression levels of osteogenesis-related factors (BMP-2 and ALP) in the rBMSCs and angiogenesis-related factors (VEGF and BFGF) in the HUVECs were significantly up-regulated in gastrodin-PU/n-HA/macrophage-conditioned medium. The immunomodulatory effects of gastrodin-PU/n-HA to reprogram macrophages from a pro-inflammatory (M1) phenotype to an anti-inflammatory and pro-healing (M2) phenotype were validated in a rat subcutaneous implantation model. And the 2% gastrodin-PU/n-HA significantly decreased fibrous capsule formation and enhanced angiogenesis. Additionally, 2% gastrodin-PU/n-HA scaffolds implanted in the rat femoral condyle defect model showed accelerated osteogenesis and angiogenesis. Thus, the novel gastrodin-PU/n-HA scaffold may represent a new and promising immunomodulatory biomaterial for bone repair and regeneration.

Determination of the concentration of prepared Rehmannia root solution by fluorescence polarization spectroscopy combined with the least-square method

In recent years, the safety of traditional Chinese medicine has gradually attracted consumers’ attention. Therefore, the qualitative and quantitative detection of traditional Chinese medicine has become a hot research topic in recent years. In this paper, we chose prepared Rehmannia root as the research object. By using the fluorescence polarization spectrum and the least-square method, a method for predicting the concentration of traditional Chinese medicine solutions was established. First, we scanned the fluorescence polarization spectra of the prepared Rehmannia root solution to obtain the inner anisotropy and anisotropy of each sample. Then, the least-square method was used to obtain the functional relationship between concentration and anisotropy. Finally, the functional relation was applied to predict the concentration of the prepared Rehmannia root solution. The correlation coefficients of the predicted concentration were 0.9944 and 0.9928, with an average recovery rate of 100.94% and 99.58%, respectively. The results show that fluorescence polarization spectroscopy combined with the least-squares method can quickly and accurately detect the concentration of Rehmannia glutinosa root solution. This provides a new method for the content detection of traditional Chinese medicine components.

Identification and characterization of phytochemicals and constituents in Desmodium velutinum stem using high-performance liquid chromatography (HPLC)

The aim of this study was to analyse and identify phytochemicals and bioactive constituents present in Desmodium velutinum stem. Fresh stems of Desmodium velutinum were air-dried at room temperature for 3 days. The stems were pulverized into a fine powder which was extracted with methanol (80% v/v). The concentrated extract was fractionated using n-hexane, ethylacetate, and aqueous methanol. Phytochemical analyses and bioactive composition were done using standard methods and HPLC. The fractionation of 40 g Desmodium velutinum stem methanol extract using aqueous methanol gave a 16 % percentage yield. The phytochemical analyses showed the presence of tannins, flavonoids, phenolics, and alkaloids with concentrations 5.02±1.22 mg/g, 2.64±0.01 mg/g, 7.02±1.18 mg/g and 3.61±0.04 mg/g respectively. The high-performance liquid chromatography (HPLC) analysis of the aqueous fraction of Desmodium velutinum stem showed the presence of different constituents of flavonoids, phenols, and tannins in varying concentrations. The flavonoids include rutin hydrate and apigenin. The phenols identified were p-coumaric acid, rutin, ferrulic acid, and apigenin while the tannins identified were tannic acid. These phytochemicals identified in Desmodium velutinum stem have been reported to possess antioxidant properties which may be used in preventing and alleviating diseases. Desmodium velutinum may therefore be a potential source of new drugs in orthodox medicine. Most of these phytocompounds form part of the components of Traditional Chinese Medicine as well as African Traditional Medicine.

Daphne jejudoensis Attenuates LPS-Induced Inflammation by Inhibiting TNF-α, IL-1β, IL-6, iNOS, and COX-2 Expression in Periodontal Ligament Cells.

Periodontitis is a common disease involving inflammation and tissue destruction in the periodontal region. Although uncontrolled long-term inflammation in the gingiva may lead to loss of the periodontal ligament, treatments or preventive solutions for periodontitis are scarce. The aim of this study is to find anti-inflammatory material from a natural source that can be used to treat or protect against periodontitis. Daphne species (Thymelaeaceae) are important and popular components of traditional Chinese medicine and are used as anti-inflammatory agents. Daphne jejudoensis is an endemic plant that grows on Jeju Island and was identified as a new species in 2013. In this study, for the first time, we investigated the anti-inflammatory effect of D. jejudoensis leaf extract (DJLE) on human periodontal ligament cells. The gene expression levels of pro-inflammatory cytokines (interleukin-1β and 6 and tumor necrosis factor-α) and inflammation-inducible enzymes (inducible nitric oxide synthase and cyclooxygenase-2) were reduced after DJLE treatment with/without lipopolysaccharide stimulation. The findings of this study indicate that D. jejudoensis possesses anti-inflammatory activities, suggesting that DJLE may be a potential preventive and therapeutic agent for periodontitis.

Computer Prediction Model in Prediction of Toxic Components of Traditional Chinese Medicine

<p style="text-align: justify;"><span style="font-size:16px;font-family: 'Times New Roman','serif'">More and more attention has been paid to the toxicity study of traditional Chinese medicine. With the accumulation of toxicity knowledge of a large number of compounds, it provides a reliable basis for toxicity prediction. The method of computational toxicology will be more widely used in elucidating the material basis and mechanism of toxicity of traditional Chinese medicine. In order to understand and master the application of computer prediction model in toxicology research and toxicity component prediction of traditional Chinese medicine, the concept of computer toxicology was introduced briefly, the challenges faced by computer prediction model in toxicity component prediction of traditional Chinese medicine were analyzed, and the application of computer prediction model in toxicity component prediction of traditional Chinese medicine was also discussed.</span>

Integrating Metabolomics and Network Pharmacology to Explore the Protective Effect of Ginsenoside Re against Radiotherapy Injury in Mice.

Ionizing radiation (IR) can cause radiation damage, mutagenesis, or carcinogenesis in the irradiated subject. It is manifested as metabolic disorders of the body and damage to the immune system, nervous system, and endocrine system, which can lead to physiological and pathological changes and endogenous metabolic disorders. Ginsenoside Re (G-Re), a single component of traditional Chinese medicine, has a certain ameliorating effect on radiation damage. However, its mechanism of action in the treatment of radiotherapy injury remains unclear. With this purpose, the hematopoietic function of mice damaged by X-ray radiation was studied, and the protective effect of G-Re on mice damaged by radiation was preliminarily evaluated. Network pharmacology and metabolomics analysis are used to further reveal the mechanism of G-Re to improve radiation damage through metabolomics research. Results of metabolomics analysis showed that 16 potential biomarkers were identified as participating in the therapeutic effect of G-Re on IR. Most of these metabolites are adjusted to recover after G-Re treatment. The pathways involved included glycerophospholipid metabolism, sphingolipid metabolism, and linoleic acid metabolism. According to network pharmacology analysis, we found 10 hub genes, which is partly consistent with the findings of metabolomics. Further comprehensive analysis focused on 4 key targets, including SRC, EGFR, AKT1, and MAPK8, and their related core metabolites and pathways. This study combines metabolomics and network pharmacology analysis to explore the key targets and mechanisms of G-Re in the treatment of IR, in order to provide new strategies for clinical treatment of radiotherapy injury.