[Prediction of global potential growth areas for Panax ginseng based on GMPGIS system and MaxEnt model].

The suitable habitat for the endangered and valuable medicinal herb Panax ginseng is gradually decreasing. It is crucial to investigate its suitable growing areas in China for global protection and sustainable utilization of P. ginseng. In this study, 371 distribution points of P. ginseng were collected, and 21 environmental factors were used as ecological indicators. The geographic information system for global medicinal plants(GMPGIS) system, MaxEnt model, and Thiessen polygon method were used to analyze the potential suitable areas for P. ginseng globally. The results showed that the key environmental variables affecting P. ginseng were precipitation in the hottest quarter(Bio18) and the coefficient of temperature seasonality(Bio4). The suitable habitats for P. ginseng were mostly located in the "One Belt, One Road" countries such as China, Japan, South Korea, North Korea, and Russia. The highly suitable habitats were mainly distributed along mountain ranges in southeastern Shandong, southern Shanxi and Shaanxi, northern Jiangsu, and northwestern Henan of China. Data analysis indicated that the current P. ginseng planting sites were all in high suitability zones, and the Thiessen polygon results showed that the geographic locations of P. ginseng production companies were unbalanced and urgently needed optimization. This study provides data support for P. ginseng planting site selection, scientific introduction, production layout, and long-term development planning.

Identification of a secondary Q-marker in high-quality ecotypes of Carthamus tinctorius L. and exploration of the target preference.

Safflower (Carthamus tinctorius) has the efficacy for promoting blood circulation and preventing cardiovascular and Alzheimer's diseases and is thus a valuable medicinal and functional food plant. However, how to evaluate high-quality safflower is still a problem. To differentiate intraspecies ecotypes and illustrate the mechanisms of differential metabolites of C. tinctorius from different regions, this study combined the widely targeted metabolome, weighted network pharmacology, and molecular docking to filter bioactive compounds and predict the target preference. The results indicated that kaempferol is suitable as a secondary Q-marker to differentiate intraspecies ecotypes. In secondary metabolites, the average content of kaempferol and its derivates in C. tinctorius from Sichuan is three times that of other areas, which have the potential for the targeted medicine of CA2 and TNF. In volatile metabolites, isoaromadendrene epoxide has the potential as a specifically targeted medicine of RXRA. The change of the target preference could be the reason for the difference in drug efficacy among different varieties of C. tinctorius. It is reasonable that Sichuan was recognized as a high-quality ecotype producing region of C. tinctorius in China, which promotes blood circulation and removes blood stasis. This study provides an innovative method to differentiate intraspecies ecotypes and explore their target preference.

Gallic Acid: A Potential Anti-Cancer Agent.

Cancer is one of the most devastating diseases worldwide and definitive therapeutics for treating cancer are not yet available despite extensive research efforts. The key challenges include limiting factors connected with traditional chemotherapeutics, primarily drug resistance, low response rates, and adverse side-effects. Therefore, there is a high demand for novel anti-cancer drugs that are both potent and safe for cancer prevention and treatment. Gallic acid (GA), a natural botanic phenolic compound, can mediate various therapeutic properties that are involved in anti-inflammation, anti-obesity, and anti-cancer activities. More recently, GA has been shown to exert anti-cancer activities via several biological pathways that include migration, metastasis, apoptosis, cell cycle arrest, angiogenesis, and oncogene expression. This review discusses two aspects, one is the anti-cancer potential of GA against different types of cancer and the underlying molecular mechanisms, the other is the bibliometric analysis of GA in cancer and tumor research. The results indicated that lung cancer, prostate cancer, stomach cancer, and colon adenocarcinoma may become a hot topic in further research. Overall, this review provides evidence that GA represents a promising novel, potent, and safe anti-cancer drug candidate for treating cancer.

Current Status and Research Trends of Panax Between 1900-2019: A Bibliometric Analysis.

OBJECTIVE: To investigate the current status and further development of Panax genus and 6 important individual species including P. notoginseng, P. quinquefolium, P. vietnamensis, P. japonicus, P. stipuleanatus and P. zingiberensis. METHODS: The bibliometric analysis was based on the Web of Science core database platform from Thomson Reuters. Totally, 7,574 records of scientific research of Panax species published from 1900-2019 were analyzed. The statistical and visualization analysis was performed by CiteSpace and HistCite software. RESULTS: The academic research of Panax species increase promptly. Plant science is the main research field while research and experimental medicine and agricultural engineering will be the further development tendency. Particularly, the discrimination research of P. notoginseng will be the research tendency among Panax species, especially diversity research. In addition, P. vietnamensis deserves more attention in the genus Panax. CONCLUSION: This research provides a reference for further research of the genus and individual species.

Prediction of the globally ecological suitability of Panax quinquefolius by the geographic information system for global medicinal plants (GMPGIS).

American ginseng (Panax quinquefolius L.) is a well-known Asian traditional herbal medicine with a large market demand. The plant is native to eastern North America, and its main producing areas worldwide are decreasing due to continuous cropping obstacles and environmental changes. Therefore, the identification of maximum similarities of new ecological distribution of P. quinquefolius, and prediction of its response to climate change in the future are necessary for plant introduction and cultivation. In this study, the areas with potential ecological suitability for P. quinquefolius were predicted using the geographic information system for global medicinal plants (GMPGIS) based on 476 occurrence points and 19 bioclimatic variables. The results indicate that the new ecologically suitable areas for P. quinquefolius are East Asia and the mid-eastern Europe, which are mainly distributed in China, Russia, Japan, Ukraine, Belarus, North Korean, South Korea, andRomania. Under global climate change scenarios, the suitable planting areas for P. quinquefolius would be increased by 9.16%-30.97%, and expandingnorth and west over the current ecologically suitable areas by 2070. The potential increased areas that are ecologically suitable include northern Canada, Eastern Europe, and the Lesser Khingan Mountains of China, and reduced regions are mainly in central China, the southern U.S., and southern Europe. Jackknife tests indicate that the precipitation of the warmest quarter was the important climatic factor controlling the distribution of P. quinquefolius. Our findings can be used as auseful guide for P. quinquefolius introduction and cultivation in ecologically suitable areas.

[Exploration on mechanism of anti-influenza virus activity of genus Paeonia based on network pharmacology].

This paper aimed to investigate the anti-influenza virus activity of the genus Paeonia, screen potential anti-influenza virus compounds and predict targets of anti-influenza virus to explore the mechanism of anti-influenza virus activity. First of all, a total of 301 compounds of the genus Paeonia were summarized from the literatures in recent ten years. The candidate active ingredients from the genus Paeonia were identified by database such as PubChem and Chemical Book. The ligands were constructed by ChemDraw, Avogadro and Discovery Studio Visualizer. Secondly, 23 potential anti-influenza virus targets were developed by combining the target database and the literatures. Uniprot database was used to find the anti-influenza virus targets, and RCSB was used to identify targets associated with anti-influenza virus activity as docked receptor proteins. QuickVina 2.0 software was used for molecular docking. Finally, the Cytoscape 3.5.1 software was used to map the potential activity compounds of the genus Paeonia against influenza virus and the anti-influenza virus target network. Uniprot online database was used to analyze the target GO enrichment and KEGG metabolic pathways. The results showed that 74 compounds of the genus Paeonia had anti-influenza virus effect and 18 potential anti-influenza virus targets were screened. GO analysis concluded that the mechanism of the genus Paeonia anti-influenza virus is consistent with the mechanism of NA anti-influenza virus in order to stop the sprouting, dispersion and diffusion of virus and reduce the ability of virus to infect, so that the infection can be restricted so as to achieve the anti-influenza virus effect.

Comparison of the impact of Tripterygium wilfordii Hook F and Methotrexate treatment on radiological progression in active rheumatoid arthritis: 2-year follow up of a randomized, non-blinded, controlled study.

BACKGROUND: Tripterygium wilfordii Hook F (TwHF) alone or in combination with methotrexate (MTX) has been shown to be more effective than MTX monotherapy in controlling the manifestations in subjects with disease-modifying antirheumatic drug (DMARD)-naïve active rheumatoid arthritis (RA) over a 6-month period. The long-term impact of these therapies on disease activity and radiographic progression in RA has not been examined. METHODS: Patients with DMARD-naïve RA enrolled in the "Comparison of Tripterygium wilfordii Hook F with methotrexate in the Treatment of Active Rheumatoid Arthritis" (TRIFRA) study were randomly allocated into three arms with TwHF or MTX or the two in combination. Clinical indexes and radiographic data at baseline and year 2 was collected and compared using an intent-to-treat (ITT) and a per-protocol (PP) analysis. Two radiologists blinded to the treatment scored the images independently. RESULTS: Of 207 subjects 109 completed the 2-year follow up. The number of subjects withdrawing from the study and the number adhering to the initial regimens were similar among the three groups (p > = 0.05). In the ITT analysis, proportions of patients reaching American College of Rheumatology 50% (ACR50) response criteria were 46.4%, 58.0% and 50.7% in the MTX, TwHF and MTX + TwHF groups (TwHF vs MTX monotherapy, p = 0.004). Similar patterns were found in ACR20, ACR70, Clinical Disease Activity Index good responses, European League Against Rheumatism good response, remission rate and low disease activity rate at year 2. The results of the PP analysis agreed with those in the ITT analysis. The changes in total Sharp scores and joint erosion and joint space narrowing during the 2 years were associated with changes in disease activity measured by the 28-joint count Disease Activity Score and were comparable among the three groups (p > 0.05). Adverse events were similar in the three treatment groups. CONCLUSIONS: During the 2-year therapy period, TwHF monotherapy was not inferior to MTX monotherapy in controlling disease activity and retarding radiological progression in patients with active RA. TRIAL REGISTRATION: This is a follow-up study. Original trial registration: ClinicalTrials.gov , NCT01613079 . Registered on 4 June 2012.

[Exploration on antibacterial activity and mechanism of flowers and leaves from Paeonia rockii based on network pharmacology].

This paper aimed to investigate the antibacterial activity of flowers and leaves from Paeonia rockii, screen antibacterial compounds and predict targets of antibacterial to explore its multi-component, multi-target antibacterial mechanism. In this study, minimal inhibitory concentration(MIC) of seven strains of Staphylococcus aureus, S. epidermidis， Bacillus subtilis, B. cereus, Escherichia coli, Klebsiella pneumoniae and Pseudomonas aeruginosa were determined by microdilution method. Uniprot databases was used to find the antibacterial targets, and RCSB was used to identify targets associated with antimicrobial activity as docked receptor proteins. The candidate active ingredients from flowers and leaves of P. rockii were identified by database such as PubChem. The ligands were constructed by ChemDraw, Avogadro and Discovery Studio Visualizer. QuickVina 2.0 software was used to molecular docking. Besides, the Cytoscape 3.5.1 software was used to construct activity compounds of flowers and leaves from P. rockii ingredients-targets network, and Uniprot software was used to analyze gene ontology and KEGG pathway. In vitro antibacterial experiments found antibacterial effect of the flowers and leaves from P. rockii, especially methanol extraction of flowers has the strongest antibacterial effect. The network pharmacology indicated that total 29 activity ingredients and their 18 targets were screened in flowers and leaves from P. rockii. Comparison of the active ingredients and the number of antimicrobial target networks, it is predicted that the antibacterial components are mainly flavonoids and phenolic acids and main mechanism of antibacterial is to inhibit the synthesis of bacterial proteins. In this study, potential antibacterial activity of flowers and leaves from P. rockii has be found by antibacterial experiments in vitro and network pharmacology screening. And this study provides new clues for further basic study on the antibacterial agents of flowers and leaves from P. rockii.

Survey of traditional Dai medicine reveals species confusion and potential safety concerns: a case study on Radix Clerodendri Japonicum.

The adulteration of herbal products is a threat to consumer safety. In the present study, we surveyed the species composition of commercial Radix Clerodendri Japonicum products using DNA barcoding as a supervisory method. A reference database for plant-material DNA-barcode was successfully constructed with 48 voucher samples from 12 Clerodendrum species. The database was used to identify 27 Radix Clerodendri Japonicum decoction piece samples purchased from drug stores and hospitals. The DNA sequencing results revealed that only 1 decoction piece (3.70%) was authentic C. japonicum, as recorded in the Dai Pharmacopeia, whereas the other samples were all adulterants, indicating a potential safety issue. The results indicate that decoction pieces that are available in the market have complex origins and that DNA barcoding is a suitable tool for regulation of Dai medicines.

Screening for Neuraminidase Inhibitory Activity in Traditional Chinese Medicines Used to Treat Influenza.

OBJECTIVE: To screen for influenza virus neuraminidase inhibition and to provide a reference for the clinical treatment of influenza using traditional Chinese medicines (TCM). In this study, 421 crude extracts (solubilized with petroleum ether, ethanol, ethyl acetate, and aqueous solvents) were obtained from 113 TCM. The medicine extracts were then reacted with oseltamivir, using 2'-(4-methylumbelliferyl)-α-D-N-acetylneuraminic acid (MUNANA) as the substrate, to determine influenza virus neuraminidase activity using a standard fluorimetric assay. It was found that Chinese medicine extracts from Pyrola calliantha, Cynanchum wilfordii, Balanophora involucrata and Paeonia delavayi significantly inhibited neuraminidase activity at a concentration of 40 µg/mL. Dose-dependent inhibitory assays also revealed significant inhibition. The IC50 range of the TCM extracts for influenza virus neuraminidase was approximately 12.66-34.85 µg/mL, respectively. Some Chinese medicines have clear anti-influenza viral effects that may play an important role in the treatment of influenza through the inhibition of viral neuraminidase. The results of this study demonstrated that plant medicines can serve as a useful source of neuraminidase (NA) inhibitors and further investigation into the pharmacologic activities of these extracts is warranted.

Angelica sinensis in China-A review of botanical profile, ethnopharmacology, phytochemistry and chemical analysis.

ETHNOPHARMACOLOGICAL RELEVANCE: Angelica sinensis (Oliv.) Diels, known as Dang Gui (in Chinese), is a traditional medicinal and edible plant that has long been used for tonifying, replenishing, and invigorating blood as well as relieving pain, lubricating the intestines, and treating female irregular menstruation and amenorrhea. A. sinensis has also been used as a health product and become increasingly popular in China, Japan, and Korea. AIM OF THE REVIEW: This paper aims to provide a systemic review of traditional uses of A. sinensis and its recent advances in the fields of phytochemistry, analytical methods and toxicology. In addition, possible trends, therapeutic potentials, and perspectives for future research of this plant are also briefly discussed. MATERIALS AND METHODS: An extensive review of the literature was conducted, and electronic databases including China National Knowledge Infrastructure, PubMed, Google Scholar, Science Direct, and Reaxys were used to assemble the data. Ethnopharmacological literature and digitalised sources of academic libraries were also systematically searched. In addition, information was obtained from local books and The Plant List (TPL, www.theplantlist.org). RESULT: This study reviews the progress in chemical analysis of A. sinensis and its preparations. Previously and newly established methods, including spectroscopy, thin-layer chromatography (TLC), gas chromatography (GC), high-performance liquid chromatography (HPLC), ultra-performance liquid chromatography(UPLC), and nuclear magnetic resonance analysis (NMR), are summarized. Moreover, identified bioactive components such as polysaccharides, ligustilide and ferulic acid were reviewed, along with analytical methods for quantitative and qualitative determination of target analytes, and fingerprinting authentication, quality evaluation of A. sinensis, and toxicology and pharmacodynamic studies. Scientific reports on crude extracts and pure compounds and formulations revealed a wide range of pharmacological activities, including anti-inflammatory activity, antifibrotic action, antispasmodic activity, antioxidant activities, and neuroprotective action, as well as cardio- and cerebrovascular effects. CONCLUSIONS: Within the published scientific literature are numerous reports regarding analytical methods that use various chromatographic and spectrophotometric technologies to monitor various types of components with different physicochemical properties simultaneously. This review discusses the reasonable selection of marker compounds based on high concentrations, analytical methods, and commercial availabilities with the goal of developing quick, accurate, and applicable analytical approaches for quality evaluation and establishing harmonised criteria for the analysis of A. sinensis and its finished products. Compounds isolated from A. sinensis are abundant sources of chemical diversity, from which we can discover active molecules. Thus, more studies on the pharmacological mechanisms of the predominant active compounds of A. sinensis are needed. In addition, given that A. sinensis is one of the most popular traditional herbal medicines, its main therapeutic aspects, toxicity, and adverse effects warrant further investigation in the future.

[Resource surveys and suitability of origin for genuine medicinal materials, Astragalus membranaceus var. mongholicus in Inner Mongolia, China.] / å† è’™å¤åœ°åŒºé“åœ°è¯æè’™å¤é»„èŠªèµ„æºè°ƒæŸ¥åŠäº§åœ°é€‚å®œæ€§.

In order to explore the ecological factors affecting the growth of Astragalu smembranaceus var. mongholicus, we investigated the resource distribution, habitat characteristics and growth conditions of wild and cultivated A. membranaceus var. mongholicus by fixed-plot observation, survey method, and literature. These data were analyzed by traditional Chinese medicine GIS-2 (TCMGS-2) to obtain the most suitable areas of A. membranaceus var. mongholicus within Inner Mongolia. The results showed that the production areas of cultivated A. membranaceus var. mongholicus were mainly located in Wuchuan County, Guyang County and other 15 counties, which were cha-racterized by the altitude higher than 1000 m, with soil type of sand, gravel and calcareous clay. The wild A. membranaceus var. mongholicus was distributed mainly in the eastern Inner Mongolia and germinated in sunny place, which preferred to the cold dry climate and sandy loam soil or gra-vel but avoided damp heavy clay soils. There are 43 counties of 94460.30 km2 for wild A. membranaceus var. mongholicus, and 32 counties of 76013.93 km2 for cultivated one within Inner Mongolia, with a similarity coefficient of ecological factors greater than 95%.

[Analysis of global ecology of Panax notoginseng in suitability and quality].

In this study, the Geographic Information System for Global Medicinal Plants(GMPGIS) was used to assess the global production and ecological adaptation of Panax notoginseng. Based on climate factors and soil types of P. notoginseng from 326 sampling sites, which cover both traditional and current major producing regions, as well as on the results of the ecological similarity computing analysis, we obtained the maximum ecological similarity areas for P. notoginseng worldwide. The results indicated that China was the most suitable ecological and cultivated area globally for P. notoginseng, accounting for more than 70% of the total cultivated area in the world. The United States, Brazil, Portugal, and other 22 countries also had a small amount of potential suitable producing area. China has eight potential suitable producing provinces, including Yunnan, Fujian, Guangxi, Guizhou, etc. The prediction is consistent with the new district of P. notoginseng reported in recent years, which verifies the accuracy of the prediction of GMPGIS. We conducted a literature analysis on resource regeneration and quality ecology on P. notoginseng, and summarized the cultivation, wild tending models, and effects of environmental factors on the quality of P. notoginseng. The results provide scientific basis for selection of P. notoginseng, as well as the introduction, cultivation, and production of P. notoginseng worldwide.

UPLC/Q-TOF-MS analysis of iridoid glycosides and metabolites in rat plasma after oral administration of Paederia scandens extracts.

A rapid and validated UPLC-MS method was developed for investigating the absorbed components of Paederia scandens (Lour.) Merrill (P. scandensy) in rat plasma. The bioactive constituents in plasma samples from rats administrated orally with P. scandens extract were analyzed by Ultra-performance liquid chromatography quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS). Four prototype compounds were identified in rat serum as potential bioactive components of P. scandens by comparing their retention times and mass spectrometry data or by mass spectrometry analysis and retrieving the reference literatures. Glucuronidation after deglycosylation was the major metabolic pathway for the iridoid glycosides in P. scandens. These results showed that the methods had high sensitivity and resolution and were suitable for identifying the bioactive constituents in plasma after oral administration of P. scandens. providing helpful chemical information for further pharmacological and mechanistic researched on the P. scandens.

Simultaneous determination of ferulic acid and phthalides of Angelica sinensis based on UPLC-Q-TOF/MS.

The radix of Angelica sinensis (AS) is one of the most commonly used as a herbal medicine. To investigate the geoherbalism and quality evaluation of AS, an ultra performance liquid chromatography coupled with electrospray ionization quadrupole time-of-flight tandem mass spectrometry (UPLC-ESI-Q-TOF/MS) method was established to analyze and identify ferulic acid and phthalides in AS. The results showed that among samples collected in four regions, the relative contents of ferulic acid and phthalides were highest in samples collected in Gansu, and the samples from the four different regions were apparently classified into four groups. Meanwhile, the relative content in non-fumigated root was higher than after sulfur-fumigation and the sulfur-fumigated and non-fumigated samples were obviously divided into two groups by PCA. The paper establishes a systematic and objective evaluation system to provide a scientific basis for evaluating the quality of AS.

Determination of production regions for pollution-free Chinese medicinal materials by geographic information system: Achyranthes bidentata (Niu Qi) in Tianjin as an example.

BACKGROUND: The land and ecology suitability for producing pollution-free Chinese medicinal materials should be evaluated based on Geographic Information System (GIS). This study aims to determine production regions for pollution-free Achyranthes bidentata in Tianjin as a case to illustrate the workflow based on GIS. METHODS: The slopes, land usage, residential areas and roads were selected to evaluate the land suitability, to avoid the potential pollution sources. The ecology suitability evaluation was performed based on the soil type and nine climate factors, such as active accumulated temperature, mean January temperature, mean July temperature, the lowest temperature in January, the highest temperature in July, mean annual temperature, sunshine duration, relative humidity, annual precipitation, affecting the natural growth of A. bidentata. RESULTS: The best production regions for pollution-free A. bidentata in Tianjin, with a total area of approximately 575 km(2), were found in Jinghai County, Ninghe County, Wuqing District, and Dagang District. CONCLUSION: This study illustrated a workflow based on GIS for determining the production regions in Tianjin for pollution-free A. bidentata.

[Development history of methodology of Chinese medicines' authentication].

This paper reviewed the emergence process of the subject and methodology of Chinese Medicines' Authentication. Based on the research progress and major achievements acquired in research of each methodology including identification of origin, description, microscopic, physical, chemical and biological characteristics of Chinese medicines, it is expounded that the development process of each methodology combined modem digital technology, information science and its own characteristics. And the development direction is further described for methodology of Chinese Medicines' Authentication towards systematization and informationization.

[Identification of radix et rhizoma clematidis and its adulterants using DNA barcoding].

This study provides the candidate sequences in the identification of Radix et Rhizoma Clematidis and its adulterants using DNA barcoding. We amplified and sequenced the region psbA-trnH, with the data of 284 sequences from GenBank, the differential intra- and inter-specific divergences, genetic distance, barcoding gap were used to evaluate five barcodes, and the identification efficiency was assessed using BLAST1 and Nearest Distance methods. The results showed that psbA-trnH barcodes performed high identification efficiency and inter-specific divergences among the five different DNA barcodes. Analysis of the barcoding gap and NJ tree showed psbA-trnH was superior to other barcodes. Based on the identification and PCR amplification efficiency, psbA-trnH can be the ideal barcode to identify Radix et Rhizoma Clematidis and its adulterants accurately.

Hypericin: chemical synthesis and biosynthesis.

Hypericin is one of the most important phenanthoperylene quinones extracted mainly from plants of the genus Hypericum belonging to the sections Euhypericum and Campylosporus of Keller's classification. Widespread attention to the antiviral and anti-tumor properties of hypericin has spurred investigations of the chemical synthesis and biosynthesis of this unique compound. However, the synthetic strategies are challenging for organic and biological chemists. In this review, specific significant advances in total synthesis, semi-synthesis, and biosynthesis in the past decades are summarized.

[Analysis on component difference in Citrus reticulata before and after being processed with salt by UPLC-Q-TOF/MS].

To analyze components of Citrus reticulata and salt-processed C. reticulata by ultra-performance liquid chromatography coupled with quadrupole-time-of-flight mass spectrometry (UPLC-Q-TOF/MS), and compared the changes in components before and after being processed with salt. Principal component analysis (PCA) and partial least squares discriminant analysis (OPLS-DA) were adopted to analyze the difference in fingerprint between crude and processed C. reticulata, showing increased content of eriocitrin, limonin, nomilin and obacunone increase in salt-processed C. reticulata. Potential chemical markers were identified as limonin, obacunone and nomilin, which could be used for distinguishing index components of crude and processed C. reticulata.