Digital Chinese Medicine最新文献

{"title":"Immunomodulatory effect of pachymaran on cyclosporine A (CsA)-induced lung injury in mice","authors":"Chen Kaiqin ,&nbsp;Wei Ke ,&nbsp;Ye Chun ,&nbsp;Zhao Tianhao ,&nbsp;Zhang Bo ,&nbsp;Xiao Rong ,&nbsp;Lu Fangguo","doi":"10.1016/j.dcmed.2022.06.011","DOIUrl":"10.1016/j.dcmed.2022.06.011","url":null,"abstract":"<div><h3>Objective</h3><p>To investigate the immunomodulatory effect of pachymaran on cyclosporine A (CsA)-induced lung injury in mice.</p></div><div><h3>Methods</h3><p>(i) Fifty male BALB/c mice were randomly divided into five groups (10 mice in each group): normal control (NC) group, 30, 45, and 60 mg/kg CsA groups, and lipopolysaccharide (LPS) group. Except for the NC group, other groups underwent CsA modeling. The NC group was treated with phosphate-buffered saline (PBS), the LPS group with 10 mg/kg LPS eight hours before mice euthanized, and the 30, 45, and 60 mg/kg CsA groups with corresponding doses of CsA for seven consecutive days. After treatment, the body and organ mass of each group were weighed, and the lung, thymus, and spleen indexes were calculated. Hematoxylin-Eosin (HE) staining was performed to observe histopathological changes in the lungs of the mice. The protein expression levels of interleukin (IL)-2 and IL-1<em>β</em> in the blood were detected using enzyme-linked immunosorbent assay (ELISA), and those of surfactant protein D (SP-D), IL-2, and IL-6 in lung tissues were detected by immunohistochemistry (IHC). The mRNA expression levels of SP-D, IL-1<em>β</em>, IL-6, and myeloperoxidase (MPO) in the lung tissues were detected by quantitative reverse transcriptase-polymerase chain reaction (qRT-PCR). (ii) Another 60 BALB/c mice were divided into six groups (10 mice in each group) : NC group, model control (MC) group, 50, 100, and 200 mg/kg pachymaran groups, and polyinosinic-polycytidylic acid [poly(I:C)] group. Except for the NC group, other groups underwent 45 mg/kg CsA modeling. The NC and MC groups were treated with distilled water, the pachymaran groups with corresponding doses pachymaran, and the poly(I:C) group with 0.1 mg/kg poly(I:C) for seven days.The mice were euthanized to obtain tissues and serum for detection. Detection methods were identical to those described in (i) above.</p></div><div><h3>Results</h3><p>(i) CsA (30 mg/kg) increased the lung index of mice (<em>P</em> &lt; 0.001), and decreased the spleen index (<em>P</em> &lt; 0.01), thymus index (<em>P</em> &lt; 0.05), and the serum level of IL-2 (<em>P</em> &lt; 0.05). CsA (45 mg/kg) decreased the spleen, thymus indexes, and the serum level of IL-2 (<em>P</em> &lt; 0.01) in mice, and increased the serum level of IL-1<em>β</em> (<em>P</em> &lt; 0.05) and the protein level of lung SP-D (<em>P</em> &lt;0.001). CsA (60 mg/kg) increased the lung index of mice (<em>P</em> &lt; 0.01), the serum level of IL-1<em>β</em> (<em>P</em> &lt; 0.05), the protein level of lung SP-D (<em>P</em> &lt; 0.01), and the mRNA levels of lung MPO and SP-D ( <em>P</em> &lt; 0.05), and decreased the thymus index of mice (<em>P</em> &lt; 0.01). HE staining showed that 30, 45, and 60 mg/kg CsA, and LPS caused pathological changes in the lung tissue of mice. (ii) After pachymaran intervention in MC mice, the spleen and thymus indexes (<em>P</em> &lt; 0.05) were increased in the 100 and 20","PeriodicalId":33578,"journal":{"name":"Digital Chinese Medicine","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2589377722000386/pdfft?md5=5fbf902b9a3bb046f1e87909f512cf6f&pid=1-s2.0-S2589377722000386-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83765968","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ancient and modern medication laws of aromatic Chinese medicines in treating angina pectoris based on data mining","authors":"Wang Chaoping ,&nbsp;Luo Jing ,&nbsp;Wan Qiang ,&nbsp;Cao Meifang ,&nbsp;Zha Qinglin ,&nbsp;Lei Zhiqiang ,&nbsp;Abid Naeem ,&nbsp;Yang Ming","doi":"10.1016/j.dcmed.2022.06.003","DOIUrl":"10.1016/j.dcmed.2022.06.003","url":null,"abstract":"<div><h3>Objective</h3><p>To explore ancient and modern medication laws of aromatic Chinese medicines in treating angina pectoris, and to provide new ideas for the clinical treatment.</p></div><div><h3>Methods</h3><p>With “angina pectoris” as the key word, ancient books prescriptions and Chinese patent medicines related to angina pectoris were collected from China National Knowledge Infrastructure (CNKI), Traditional Chinese Medicine Database System, Chinese Medicine Prescription Database, <em>New National Proprietary Chinese Medicine</em> (2nd edition), and <em>Chinese Pharmacopoeia</em> (2020 edition) from January 1, 2015 to December 31, 2021. Core high-frequency aromatic Chinese medicines were defined, and their potential medication rules were analyzed and summarized. Microsoft Access 2010 was used for data management. Data analysis software, including Excel and IBM SPSS Modeler 18.0 were used for drug association rule analysis, and Cytoscape 3.7.2 for visual display.</p></div><div><h3>Results</h3><p>There were 67 ancient books prescriptions and 258 Chinese patent medicines containing aromatic Chinese medicines treating angina pectoris collected from relevant databases. In ancient books prescriptions, there were nine aromatic Chinese medicines with the frequency ≥10, and the most commonly used medicine was Danggui (Angelicae Sinensis Radix), followed by Chenpi (Citri Reticulatae Pericarpium). There were 33 aromatic Chinese medicines with the frequency ≥10 in Chinese patent medicines, and the most commonly used medicine was Danshen (Salviae Miltiorrhizae Radix et Rhizoma), followed by Chuanxiong (Chuanxiong Rhizoma) and Sanqi (Notoginseng Radix et Rhizoma). In ancient books prescriptions, the medicines mainly belonged to intenal-warming medicines, Qi-regulating medicines, and blood circulation promoting and blood stasis removing medicines. There were eight medicine pairs with confidence equal to 100% in ancient books prescriptions, the most frequently used pairs were Chuanxiong (Chuanxiong Rhizoma) + Danggui (Angelicae Sinensis Radix), and Xiangfu (Cyperi Rhizoma) + Chenpi (Citri Reticulatae Pericarpium). In Chinese patent medicines, the aromatic Chinese medicine Chuanxiong (Chuanxiong Rhizoma) could be combined with many other Chinese medicines, among which the Confidence and Support of Chuanxiong (Chuanxiong Rhizoma) + Danshen (Salviae Miltiorrhizae Radix et Rhizoma) were at a high level.</p></div><div><h3>Conclusion</h3><p>Aromatic Chinese medicines for the treatment of angina pectoris of coronary heart disease are mainly warm, and the flavors are mainly pungent, sweet, and bitter. They mainly access to the liver, gallbladder, and pericardium meridians. The treatment of angina pectoris of coronary heart disease mainly focuses on warming heart pulse, and promoting blood circulation and removing blood stasis.</p></div>","PeriodicalId":33578,"journal":{"name":"Digital Chinese Medicine","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2589377722000301/pdfft?md5=35da0ec21d558a82c725f85d7f286caf&pid=1-s2.0-S2589377722000301-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87204560","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Traditional Chinese medicine Master XIONG Jibo’s medication experience in treating arthralgia syndrome through data mining","authors":"Deng Wenxiang ,&nbsp;Zhang Jidong ,&nbsp;Zhang Wenan ,&nbsp;He Qinghu","doi":"10.1016/j.dcmed.2022.06.005","DOIUrl":"10.1016/j.dcmed.2022.06.005","url":null,"abstract":"<div><h3>Objective</h3><p>This study aimed to examine and propagate the medication experience and group formula of traditional Chinese medicine (TCM) Master XIONG Jibo in diagnosing and treating arthralgia syndrome (AS) through data mining.</p></div><div><h3>Methods</h3><p>Data of outpatient cases of Professor XIONG Jibo were collected from January 1, 2014 to December 31, 2018, along with cases recorded in <em>A Real Famous Traditional Chinese Medicine Doctor: XIONG Jibo's Clinical Medical Record 1,</em> which was published in December 2019. The five variables collected from the patients’ data were TCM diagnostic information, TCM and western medicine diagnoses, syndrome, treatment, and prescription. A database was established for the collected data with Excel. Using the Python environment, a customized modified natural language processing (NLP) model for the diagnosis and treatment of AS by Professor XIONG Jibo was established to preprocess the data and to analyze the word cloud. Frequency analysis, association rule analysis, cluster analysis, and visual analysis of AS cases were performed based on the Traditional Chinese Medicine Inheritance Computing Platform (V3.0) and RStudio (V4.0.3).</p></div><div><h3>Results</h3><p>A total of 610 medical records of Professor XIONG Jibo were collected from the case database. A total of 103 medical records were included after data screening criteria, which comprised 187 times (45 kinds) of prescriptions and 1 506 times (125 kinds) of Chinese herbs. The main related meridians were the liver, spleen, and kidney meridians. The properties of Chinese herbs used most were mainly warm, flat, and cold, while the flavors of herbs were mainly bitter, pungent, and sweet. The main patterns of AS included the damp heat, phlegm stasis, and neck arthralgia. The most commonly used herbs for AS were Chuanniuxi (Cyathulae Radix), Huangbo (Phellodendri Chinensis Cortex), Cangzhu (Atractylodis Rhizoma), Qinjiao (Gentianae Macrophyllae Radix), Gancao (Glycyrrhizae Radix et Rhizoma), Huangqi (Astragali Radix), and Chuanxiong (Chuanxiong Rhizoma). The most common effect of the herbs was “promoting blood circulation and removing blood stasis”, followed by “supplementing deficiency (Qi supplementing, blood supplementing, and Yang supplementing)”, and “dispelling wind and dampness”. The data were analyzed with the support ≥ 15% and confidence = 100%, and after de-duplication, five second-order association rules, 39 third-order association rules, 39 fourth-order association rules, and two fifth-order association rules were identified. The top-ranking association rules of each were “Cangzhu (Atractylodis Rhizoma) → Huangbo (Phellodendri Chinensis Cortex)” “Cangzhu (Atractylodis Rhizoma) + Chuanniuxi (Cyathulae Radix) → Huangbo (Phellodendri Chinensis Cortex)” “Chuanniuxi (Cyathulae Radix) + Danggui (Angelicae Sinensis Radix) + Gancao (Glycyrrhizae Radix et Rhizoma) → Qinjiao (Gentianae Macrophyllae Radix)” and “Chuanniuxi (Cyathulae Ra","PeriodicalId":33578,"journal":{"name":"Digital Chinese Medicine","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2589377722000325/pdfft?md5=a0cdfdff33ccb073eeea768257652394&pid=1-s2.0-S2589377722000325-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75987124","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Extraction process in Chuantieling (CTL) based on the quality by design (QbD) concept","authors":"Li Ya ,&nbsp;Li Zirui ,&nbsp;Guo Zhihua","doi":"10.1016/j.dcmed.2022.06.008","DOIUrl":"10.1016/j.dcmed.2022.06.008","url":null,"abstract":"<div><h3>Objective</h3><p>This study aimed to design and optimize the water extraction process for Chuantieling (喘贴灵, CTL) based on the concept of quality by design (QbD).</p></div><div><h3>Methods</h3><p>The single-factor experiments were used to select the best experimental points of CTL water extraction. On this basis, the transfer rate of ephedrine hydrochloride and sinapine thiocyanate, and the yield of the extract were evaluated as the evaluation indicators. The liquid-solid ratio, extraction time, and pH value were selected as the main factors to carry out the Box-Behnken design (BBD). A mathematical model of the critical process parameters (CPPs) and critical quality attributes (CQAs) was established, the interaction between CQAs and CPPs was examined, and the CTL extraction process design space was established and optimized, which guaranteed the stability of the process. The high performance liquid chromatography (HPLC) was used to analyze the main active compounds in the CTL extract.</p></div><div><h3>Results</h3><p>Through single-factor experiments, the best experimental parameters were found to be a liquid-solid ratio of 8∶1, extraction time of 90 min, pH value of 4, and extraction times of three. The experimental variance analysis results of the BBD showed that the <em>P</em> value of the regression model was less than 0.05, and the lack-of-fit value was greater than 0.01, indicating that the constructed model had good predictive ability. The operating space of the CPPs of the CTL water extraction process was combined with the actual production situation. In the production situation, the best extraction process was nine times of water addition, 72 min of extraction time, and 4.5 of pH value. The HPLC results showed that the peak areas of ephedrine hydrochloride, sinapine thiocyanate, tetrahydropalmatine, methyl eugenol, cinnamaldehyde, and 6-gingerol in the CTL extract accounted for 0.94%, 14.32%, 0.78%, 31.23%, 0.34%, and 0.44% of the total peak area, respectively.</p></div><div><h3>Conclusion</h3><p>The water extraction process design space of CTL based on QbD was conducive to actual production operations, ensuring the stability of the process.</p></div>","PeriodicalId":33578,"journal":{"name":"Digital Chinese Medicine","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2589377722000350/pdfft?md5=93946310adc84658c6bf9e304debf299&pid=1-s2.0-S2589377722000350-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87126118","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Network pharmacology and molecular docking analysis on molecular targets and mechanism prediction of Huanglian Jiedu Decoction in the treatment of COVID-19","authors":"Xu Xinyi ,&nbsp;Liu Leping ,&nbsp;Cao Xueshuai ,&nbsp;Long Xi ,&nbsp;Peng Sujuan ,&nbsp;Zhang Guomin","doi":"10.1016/j.dcmed.2022.03.003","DOIUrl":"10.1016/j.dcmed.2022.03.003","url":null,"abstract":"<div><h3>Objective</h3><p>To investigate and predict the molecular targets and mechanism of Huanglian Jiedu Decoction (黄连解毒汤, HLJDD) in the treatment of Corona Virus Disease 2019 (COVID-19) through network pharmacology and molecular docking analysis.</p></div><div><h3>Methods</h3><p>The chemical constituents and action targets of HLJDD were retrieved on Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP), SymMap v2, Encyclopedia of Traditional Chinese Medicine (ETCM), a High-throughput Experiment- and Reference-guided Database of Traditional Chinese Medicine (HERB), and Traditional Chinese Medicine Integrated Database (TCMID). UniProt and GeneCards were used to query the target genes that corresponding to the active compounds, and then a compound-target network was constructed using Cytoscape 3.7.2. Gene Ontology (GO) database was used to annotate GO functions. Kyoto Encyclopedia of Genes and Genomes (KEGG) was used to predict the possible mechanisms of active compounds. The Database for Annotation, Visualization and Integrated Discovery (DAVID) was used to analysis the tissue enrichment. The main active compounds in HLJDD are molecularly docked with their corresponding related targets.</p></div><div><h3>Results</h3><p>Seventy-six compounds were screened and 458 corresponding targets in the network were obtained. Gene annotation showed that the targets were involved mainly in 1953 biological processes. 884 signaling pathways was enriched, involving signaling by interleukins, cytokine signaling in immune system, generic transcription pathway, and RNA polymerase II transcription. The targets mainly distributed in the lung, liver, and placenta, involving a variety of immune cells, such as T cells and B cells. The molecular docking results showed that core compounds such as wogonin, berberine, and baicalein had high affinity with tumor necrosis factor (TNF), insulin (INS), and tumor protein 53 (TP53).</p></div><div><h3>Conclusion</h3><p>The active compounds in HLJDD may have a therapeutic effect on COVID-19 through regulating multiple signal pathways by targeting genes such as vascular endothelial growth factor A (VEGFA), INS, interleukin-6 (IL-6), TNF, caspase-3 , TP53, and mitogen-activated protein kinase 3 (MAPK3).</p></div>","PeriodicalId":33578,"journal":{"name":"Digital Chinese Medicine","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2589377722000118/pdfft?md5=d3bc9741a0248617243932f3ff63abf9&pid=1-s2.0-S2589377722000118-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85601964","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The therapeutic mechanism of Shenyuan Gan in lipopolysaccharide-induced neuroinflammation in BV2 microglial cells","authors":"Peng Sha ,&nbsp;Peng Zhuang ,&nbsp;Hu Qin ,&nbsp;Liu Xinmin ,&nbsp;Chen Ying ,&nbsp;Shi Zhe","doi":"10.1016/j.dcmed.2022.03.008","DOIUrl":"10.1016/j.dcmed.2022.03.008","url":null,"abstract":"<div><h3>Objective</h3><p>To study the therapeutic effects of Shenyuan Gan (参远苷, SYG) on the inflammatory response in BV2 microglial cells induced by lipopolysaccharide (LPS).</p></div><div><h3>Methods</h3><p>The cytotoxicity of SYG to BV2 microglial cells was evaluated using a Cell Counting Kit-8 (CCK-8) assay, and the effect of SYG concentrations on LPS-induced BV2 microglial cells was studied. The morphological changes were observed using an optical microscope. The nitric oxide (NO) concentration in cell culture supernatant was determined using Griess reagent. The expression of cytokines and inflammatory mediators were also measured by an enzyme-linked immunosorbent assay (ELISA). Western blot analysis was used to determine the levels of inducible NO synthase (iNOS), nuclear factor-kappa B (NF-<em>κ</em>B) p65, alpha inhibitor of NF-<em>κ</em>B (I<em>κ</em>B-<em>α</em>), phosphorylation-I<em>κ</em>B-<em>α</em> (<em>p</em>-I<em>κ</em>B-<em>α</em>), NOD-like receptor 3 (NLRP3), and caspase-1 expression. Moreover, the expression of iNOS, NLRP3, and ionized calcium binding adapter molecule 1 (Iba1) was also observed using immunofluorescent staining.</p></div><div><h3>Results</h3><p>SYG had a low cytotoxic effect on BV2 microglial cells and could significantly decr-ease LPS-induced morphological changes of BV2 microglial cells (<em>P</em> &lt; 0.05). ELISA results showed that SYG significantly inhibited the LPS-induced increase in interleukin (IL)-1<em>β</em> and IL-6 in BV2 microglia cells (<em>P</em> &lt; 0.05), and Western blot analysis showed that the phosphorylation levels of iNOS, NF-<em>κ</em>B p65, and I<em>κ</em>B-<em>α</em> as well as NLRP3 and caspase-1 expression were also significantly decreased, and I<em>κ</em>B-<em>α</em> expression was increased after SYG treatment (<em>P</em> &lt; 0.05, compared with the LPS-treated group). The immunofluorescence results were consistent with the Western blot results, and Iba1 staining indicated that the cell morphology tended to be resting. These results indicate that SYG has a certain inhibitory effect on LPS-induced inflammation in BV2 microglial cells.</p></div><div><h3>Conclusion</h3><p>SYG can inhibit LPS-induced release of inflammatory factors in BV2 microglial cells by affecting the phosphorylation levels of NF-<em>κ</em>B p65 and I<em>κ</em>B<em>-α</em>. SYG is a valuable candidate for treating neuroinflammation-related diseases.</p></div>","PeriodicalId":33578,"journal":{"name":"Digital Chinese Medicine","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2589377722000167/pdfft?md5=5fbdf483ea5dfc0399e88b2f650f2cca&pid=1-s2.0-S2589377722000167-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72479179","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Study on the compatibility principle of Wutou Decoction based on network pharmacology","authors":"Wang Weijie ,&nbsp;Yang Xiaonan ,&nbsp;Wang Yilin ,&nbsp;Pan Hudan ,&nbsp;Liu Liang","doi":"10.1016/j.dcmed.2022.03.001","DOIUrl":"10.1016/j.dcmed.2022.03.001","url":null,"abstract":"<div><h3>Objective</h3><p>To investigate the underlying drug enhancement mechanisms of the Chuanwu (Aconiti Radix) and Huangqi (Astragali Radix) combination and toxicity reduction of Chuanwu combined with Gancao (Glycyrrhizae Radix et Rhizoma) in Wutou Decoction (乌头汤, WTD), and to elucidate the compatibility principle.</p></div><div><h3>Methods</h3><p>The active compounds and potential effective targets of the selected combinations were retrieved from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) and Traditional Chinese Medicines Integrated Database (TCMID). The toxicity of Chuanwu (Aconiti Radix) was investigated by selecting all five toxic compounds from the literature and the TCMSP database, and obtaining their targets through SwissTargetPrediction. Targets related to rheumatoid arthritis (RA) were searched using DisGeNET, GenCards, and Online Mendelian Inheritance in Man (OMIM). Mutual targets between the drug pairs and RA were selected as potential RA therapy targets. The medicinally active compound-target network was constructed using Cytoscape 3.9.0. Gene ontology (GO) term enrichment and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment were performed using the Database for Annotation, Visualization, and Integrated Discovery (DAVID) platform.</p></div><div><h3>Results</h3><p>We obtained 191 active compound targets for Gancao (Glycyrrhizae Radix et Rhizoma), 171 for Huangqi (Astragali Radix), and 103 for Chuanwu (Radix Aconiti) (hypoaconitine’s target was obtained through literature and SwissTargetPrediction). A total of 5872 genes were obtained for RA. A drug-active compound-target network involving 13 effect-enhancing and nine toxicity reduction targets was constructed. PGR was the main effect enhancement target, and KCNH2 was the main toxicity reduction target. The effect-enhancing targets were related to 23 GO terms (such as positive regulation of transcription from RNA polymerase II promoter, steroid hormone-mediated signaling pathway, plasma membrane, and protein binding) (<em>P</em> &lt; 0.01), and 13 KEGG pathways related to synergism [such as estrogen signaling pathway, cholinergic synapse, and phosphatidylinositol 3-kinase/protein kinase B (PI3K/Akt) signaling pathway]. The toxicity reduction targets were related to 28 GO terms (mainly involves G-protein coupled receptor signaling pathway, plasma membrane, and drug binding) (<em>P</em> &lt; 0.01), and five KEGG pathways related to toxicity reduction (cholinergic synapse, calcium signaling pathway, regulation of actin cytoskeleton, neuroactive ligand-receptor interaction, and serotonergic synapse).</p></div><div><h3>Conclusion</h3><p>The combination of Chuanwu (Aconiti Radix) and Huangqi (Astragali Radix) plays an important effect-enhancing role in WTD and involves the estrogen and PI3K/Akt signaling pathways, with PGR as the core. The Chuanwu (Aconiti Radix) and Gancao (Glycyrrhizae Radix et Rhizoma) combination decre","PeriodicalId":33578,"journal":{"name":"Digital Chinese Medicine","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S258937772200009X/pdfft?md5=3ec7d931a6d4884e40535a6635e71400&pid=1-s2.0-S258937772200009X-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82114659","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Molecular docking study of xylogranatins binding to glycogen synthase kinase-3β","authors":"Christian Bailly ,&nbsp;Gérard Vergoten","doi":"10.1016/j.dcmed.2022.03.002","DOIUrl":"10.1016/j.dcmed.2022.03.002","url":null,"abstract":"<div><h3>Objective</h3><p>The mangrove tree <em>Xylocarpus granatum</em> J. Koenig (<em>X. granatum</em>) is a medicinal plant used to treat various diseases in several Asian countries. Many bioactive natural products have been isolated from the plants, particularly several groups of limonoids, including 18 xylogranatins (Xyl-A to R), all of which bear a furyl-<em>δ</em>-lactone core commonly found in limonoids. Based on a structural analogy with the limonoids obacunone and gedunin, we hypothesized that xylogranatins could target the enzyme glycogen synthase kinase-3<em>β</em> (GSK-3<em>β</em>), a major target for the treatment of neurodegenerative pathologies, viral infections, and cancers.</p></div><div><h3>Methods</h3><p>We investigated the binding of the 18 xylogranatins to GSK-3<em>β</em> using molecular docking in comparison with two known reference GSK-3<em>β</em> ATP-competitive inhibitors, LY2090314 and AR-A014418. For each compound bound to GSK-3<em>β</em>, the empirical energy of interaction (<em>Δ</em>E) was calculated and compared to that obtained with known GSK-3<em>β</em> inhibitors and limonoid triterpenes that target this enzyme.</p></div><div><h3>Results</h3><p>Five compounds were identified as potential GSK-3<em>β</em> binders, Xyl-A, –C, -J, –N, and –O, for which the calculated empirical <em>Δ</em>E was equivalent to that calculated using the best reference molecule AR-A014418. The best ligand is Xyl-C, which is known to have marked anticancer properties. Binding of Xyl-C to the ATP-binding pocket of GSK-3<em>β</em> positions the furyl-<em>δ</em>-lactone unit deep into the binding-site cavity. Other xylogranatin derivatives bearing a central pyridine ring or a compact polycyclic structure are much less adapted for GSK-3<em>β</em> binding. Structure-binding relationships are discussed.</p></div><div><h3>Conclusion</h3><p>GSK-3<em>β</em> may contribute to the anticancer effects of <em>X. granatum</em> extract. This study paves the way for the identification of other furyl-<em>δ</em>-lactone-containing limonoids as GSK-3<em>β</em> modulators.</p></div>","PeriodicalId":33578,"journal":{"name":"Digital Chinese Medicine","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2589377722000106/pdfft?md5=c8196aff3d141d8cfdf8e55d3796d8b0&pid=1-s2.0-S2589377722000106-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79330151","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Visualization analysis of the research status of FU Qingzhu’s Obstetrics and Gynecology based on bibliometrics","authors":"Tian Sainan ,&nbsp;Peng Qinghua ,&nbsp;Chen Yinan ,&nbsp;Lan Congying ,&nbsp;Yan Junfeng","doi":"10.1016/j.dcmed.2022.03.010","DOIUrl":"10.1016/j.dcmed.2022.03.010","url":null,"abstract":"<div><h3>Objective</h3><p>This study examined the research status and development process of <em>FU Qingzhu’s Obstetrics and Gynecolog</em>y (<em>Fu Qing Zhu Nv Ke</em>,《傅青主女科》, <em>FQZNK</em>) in the past 40 years with bibliometrics and visual analysis.</p></div><div><h3>Methods</h3><p>Retrieved all related literature in the research field of <em>FQZNK</em> from the domestic and foreign databases: China National Knowledge Infrastructure (CNKI), China Science and Technology Journal Database (VIP), Wanfang Database, and Web of Science (WOS) core database, including Science Citation Index Expanded (SCIE), Social Sciences Citation Index (SSCI), and Arts &amp; Humanities Citation Index (A&amp;HCI). The search range was from January 1, 1980 to March 10, 2021. In addition, bibliometrics and CiteSpace 5.7.R2 software were used to analyze literature types, published journals, cited literature, the number of author publications, co-author networks, co-institution networks, keyword co-occurrence networks, keyword clusters, and keyword bursts.</p></div><div><h3>Results</h3><p>A total of 678 valid records were included in the final dataset. Literature types, high publication journals, highly cited literature, high-yield institutions, high-yield research teams, and high-productivity scholars in this research field were found through bibliometrics. Literature types can be divided into four categories, among which 451 are theoretical studies on academic thoughts of <em>FQZNK</em>, accounting for 66.5% of the included journals. <em>The Journal of Shanxi Traditional Chinese Medicine</em> had the largest volume of published articles (61), accounting for 9.0% of the total number of the included journals. The most cited literature was ZHOU Mingxin’s article “Using the quantitative method to discuss author’s authenticity and formula characteristics of <em>FU Qingzhu’s Obstetrics and Gynecology</em>”, which was cited 94 times. Hunan University of Chinese Medicine, the institution with the most publications, published 45 articles, and YOU Zhaoling, the most published author, published 33 articles. Moreover, it was found that most high-yield researchers came from high-yield institutions and that Hunan University of Chinese Medicine had the most research on <em>FQZNK</em>. Keyword co-occurrence analysis revealed that the keyword “<em>FQZNK</em>” had the highest frequency (597 times) and the highest centrality (1.00). Keyword cluster analysis used the Log-Likelihood Ratio (LLR) algorithm to form eleven important clusters: #0 treatment aiming at its root causes, #1 gynecopathy, #2 Siwu Decoction (四物汤), #3 FU Qingzhu, #4 post-partum, #5 infertility, #6 dysmenorrhea, #7 sterility, #8 coordinate the heart and kidney, #9 Danggui Buxue Decoction (当归补血汤), and #10 treatment. It was found that the prescriptions of <em>FQZNK</em> were studied mainly before 2000, the theoretical studies were mainly conducted before 2010, and its clinical application was mainly explored from 2010 unt","PeriodicalId":33578,"journal":{"name":"Digital Chinese Medicine","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2589377722000180/pdfft?md5=6ba42e668391226187579bcf14af6bcf&pid=1-s2.0-S2589377722000180-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81630786","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The prescription rule analysis of the new theory on spleen dampness syndrome by academician TONG Xiaolin","authors":"Zheng Jinghui ,&nbsp;Li Lijuan ,&nbsp;Huang Feijian ,&nbsp;Chen Xuan ,&nbsp;Lei Ye ,&nbsp;Zhu Xiangdong ,&nbsp;Liu Wenke","doi":"10.1016/j.dcmed.2022.03.004","DOIUrl":"10.1016/j.dcmed.2022.03.004","url":null,"abstract":"<div><h3>Objective</h3><p>To analyze the basic characteristics, drug features, prescription rules, and drug-symptom relationships of patients in the splenic deficiency and impairment stage, by data mining of medical records under the <em>New Theory on Spleen Dampness Syndrome</em> (<em>Pi Dan Xin Lun</em>, 《脾瘅新论》).</p></div><div><h3>Methods</h3><p>Medical records listed in the “<em>New Theory on Spleen Dampness Syndrome – Understanding and Treatment of Metabolic Syndrome from the Perspective of Traditional Chinese Medicine</em>”, and which were diagnosed with the spleen dampness syndrome at the splenic deficiency and impairment stage, during January 2004 and December 2016 were selected. These patients’ data, including basic information, clinical symptoms, laboratory examination results, traditional Chinese medicine (TCM) and western medicine diagnoses, treatment methods, prescriptions, etc., were collected. The collected data were subsequently compiled into a medical record database using the Epidata 3.1 data management software, followed by the use of Apriori algorithm provided in the SPSS Modeler 14.2 statistical software to investigate the association rules between drug-drug, drug-symptom, and drug-western medicine indices.</p></div><div><h3>Results</h3><p>(i) A total of 51 medical records were included, involving 17 types of syndromes. Among them, the top three with frequency ≥3 included “Phlegm and blood stasis, and thoracic obstruction” “Deficiency-weakness of the spleen Qi, and static blood blocking collaterals”, and “Deficiency-weakness of the spleen Qi, and static blood blocking collaterals”. Alternatively, of the 14 treatment methods, the top three treatments with frequency of ≥3 included “Activating Yang and eliminating turbidity, and removing phlegm and dredging channel blockage” “Strengthening the spleen and benefiting Qi, and eliminating phlegm to activate the channels”, and “Warming Yang and benefiting Qi, and expelling cold to remove obstructions”. Among the 15 prescriptions, the top three used with frequency ≥3 included Huangqi Guizhi Wuwu Tang (黄芪桂枝五物汤), Gualou Xiebai Banxia Tang (瓜蒌薤白半夏汤), and Ganjiang Huangqin Huanglian Renshen Tang (干姜黄芩黄连人参汤). Lastly, of the 83 drugs used for a total of 476 times, those with frequency ≥15 included Huanglian (Coptidis Rhizoma), Huangqi (Astragali Radix), Jiudahuang (Wine-processed Rhei Radix et Rhizoma), Jixueteng (Spatholobi Caulis), Shengjiang (Zingiberis Rhizoma Recens), Huangqin (Scutellariae Radix), and Guizhi (Cinnamomi Ramulus). (ii) For the drug-drug associations, under the criteria of support ≥15% and confidence = 100%, 7 s-order association rules, seven third-order rules, and six fourth-order roles were identified. The top-ranking rule of each was “Huangqin (Scutellariae Radix) → Huanglian (Coptidis Rhizoma)” “Ganjiang (Zingiberis Rhizoma) + Huangqin (Scutellariae Radix) → Huanglian (Coptidis Rhizoma)”, and “Baishao (Paeoniae Radix Alba) + Guizhi (Cinnamomi Ramulus) + Jixueteng (Spa","PeriodicalId":33578,"journal":{"name":"Digital Chinese Medicine","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S258937772200012X/pdfft?md5=492c47b1f771e62955c56fa44b521b5b&pid=1-s2.0-S258937772200012X-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88183643","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}