scholarly journals Phytochemical Analysis Using UPLC-MS/MS Combined with Network Pharmacology Methods to Explore the Biomarkers for the Quality Control of Lingguizhugan Decoction

2021 ◽  
Vol 2021 ◽  
pp. 1-19
Author(s):  
Baolin Li ◽  
Shuaishuai Fan ◽  
Jingnan Hu ◽  
Yongben Ma ◽  
Yu Feng ◽  
...  
Keyword(s):  
Chemical Constituents ◽  
Pharmacological Action ◽  
Assessment System ◽  
Network Pharmacology ◽  
Chemical Components ◽  
Phytochemical Analysis ◽  
Nonalcoholic Fatty Liver ◽  
Atractylenolide I ◽  
Clinical Prevention ◽  
First Time

As a classic TCM prescription, LGZG has been widely used in clinical prevention and treatment of heart failure, nonalcoholic fatty liver, and hyperlipidemia. However, there are few studies on chemical components in recent years, and the basis of quality evaluation is not sufficient. This study was to find the active ingredients of the Lingguizhugan decoction using UPLC-MS/MS and network pharmacology. By comparing the retention time and MS dates of the reference and self-building database, the cleavage rules of chemical composition whose mass errors are less than 1 ppm(FL less than 3 ppm) are analyzed. On this basis, a network pharmacology method was used to find biomarkers for quantitative analysis. The results show that 149 compounds were preliminaries identified or inferred, including 63 flavonoids, 30 triterpenes, 22 phenylpropanoids, 13 organic acids, 6 lactones, 5 alkaloids, 4 anthraquinones, and 6 other compounds. According to the network pharmacology results, 20 chemical constituents were selected as the biomarkers, which were determined simultaneously for the first time, including poricoic acid A, poricoic acid B, glycyrrhizic acid, glycyrrhetinic acid, liquiritin, isoliquiritin, liquiritigenin, isoliquiritin apioside, cinnamic acid, caffeic acid, neochlorogenic acid, chlorogenic acid, cryptochlorogenic acid, isochlorogenic acid A, B, and C, atractylenolide I, II, and III, and coumarin. The methodological results show that the linearity, stability, precision, repeatability, and recovery of the method are satisfactory. Therefore, a comprehensive quality assessment system for LGZG was established on the basis of a systematic study of chemical substances and network pharmacology, which provided an important reference for the foundation of pharmacological action and its mechanics.

Isolation and HPLC Determination of the Chemical Components of Gentianella acuta (Michx.) Hulten

2018 ◽  
Vol 15 (1) ◽  
pp. 21-33
Author(s):  
Ying Wei ◽  
Yongqiao Liu ◽  
Yifan Hele ◽  
Weiwei Sun ◽  
Yang Wang ◽  
...  
Keyword(s):  
Medicinal Plant ◽  
High Speed ◽  
Chemical Constituents ◽  
Folk Medicine ◽  
Gradient Elution ◽  
Chemical Components ◽  
Isolation And Characterization ◽  
Major Chemical ◽  
Main Components ◽  
First Time

Background: Gentianella acuta (Michx.) Hulten is an important type of medicinal plant found in several Chinese provinces. It has been widely used in folk medicine to treat various illnesses. However, there is not enough detailed information about the chemical constituents of this plant or methods for their content determination. Objective: The focus of this work is the isolation and characterization of the major chemical constituents of Gentianella acuta, and developing an analytical method for their determination. Methods: The components of Gentianella acuta were isolated using (1) ethanol extraction and adsorption on macroporous resin. (2) and ethyl acetate extraction and high speed countercurrent chromatography. A HPLC-DAD method was developed using a C18 column and water-acetonitrile as the mobile phase. Based on compound polarities, both isocratic and gradient elution methods were developed. Results: A total of 29 compounds were isolated from this plant, of which 17 compounds were isolated from this genus for the first time. The main components in this plant were found to be xanthones. The HPLC-DAD method was developed and validated for their determination, and found to show good sensitivity and reliability. Conclusion: The results of this work add to the limited body of work available on this important medicinal plant. The findings will be useful for further investigation and development of Gentianella acuta for its valuable medicinal properties.

scholarly journals Seasonal effects and antifungal activity from bark chemical constituents of Sterculia apetala (Malvaceae) at Pantanal of Miranda, Mato Grosso do Sul, Brazil

2015 ◽  
Vol 45 (3) ◽  
pp. 283-292 ◽  
Author(s):  
Fernanda Mussi FONTOURA ◽  
Rosemary MATIAS ◽  
Juliane LUDWIG ◽  
Ademir Kleber Morbeck de OLIVEIRA ◽  
José Antonio Maior BONO ◽  
...  
Keyword(s):  
Antifungal Activity ◽  
Chemical Constituents ◽  
Chemical Study ◽  
Stem Bark ◽  
Seasonal Effects ◽  
Chemical Components ◽  
Phytochemical Analysis ◽  
Wet Season ◽  
Mycelium Growth ◽  
Mato Grosso

In the Southern Pantanal, the hyacinth macaw (Anodorhynchus hyacinthinus), an endangered species, often chooses the manduvi tree (Sterculia apetala) as a nesting site, because of its physical properties. In addition, the chemical composition of the wood may also contribute to a nesting selection by the hyacinth macaws. The objective of this study was to determine the main chemical components of S. apetala bark for two seasons, and evaluate its fungicidal potential. Bark samples from S. apetala trees with and without nests of A. hyacinthinus were collected in January (wet season) and August (dry season) of 2012. The inhibition of mycelium growth (MGI) from tree samples with and without nests were assessed using a phytochemical analysis to evaluate their antifungal activity against Trichoderma sp. Phytochemical analysis confirmed the presence of phenolic compounds and flavonoids. In both seasons, samples obtained from nested trees had higher content of total phenols than those collected from non-nested trees. The average content of total flavonoids was higher in January for samples with nest and in August for samples without nest. All selected samples showed antifungal activity, and those with nest collected in August (peak of hyacinth macaw breeding) resulted in an MGI of 51.3%. Therefore, this percentage, related to the content of flavonoids and the presence of coumarins, may influence the reproductive success of hyacinth macaws and other species of birds, in this region. This is the first chemical study report with the stem bark of S. apetala.

scholarly journals Rapid Characterizaiton of Chemical Constituents of the Tubers of Gymnadenia conopsea by UPLC–Orbitrap–MS/MS Analysis

Molecules ◽  
2020 ◽  
Vol 25 (4) ◽  
pp. 898
Author(s):  
Xin Wang ◽  
Xiang-Jian Zhong ◽  
Na Zhou ◽  
Ning Cai ◽  
Jia-Hui Xu ◽  
...  
Keyword(s):  
Phenolic Acid ◽  
High Performance ◽  
Chemical Constituents ◽  
Scientific Basis ◽  
Negative Ion ◽  
Chemical Components ◽  
Gymnadenia Conopsea ◽  
Orbitrap Mass Spectrometer ◽  
First Time ◽  
Orbitrap Ms

Gymnadenia conopsea R. Br. is a traditional Tibetan medicinal plant that grows at altitudes above 3000 m, which is used to treat neurasthenia, asthma, coughs, and chronic hepatitis. However, a comprehensive configuration of the chemical profile of this plant has not been reported because of the complexity of its chemical constituents. In this study, a rapid and precise method based on ultra-high performance liquid chromatography (UPLC) combined with an Orbitrap mass spectrometer (UPLC–Orbitrap–MS/MS) was established in both positive- and negative-ion modes to rapidly identify various chemical components in the tubers of G. conopsea for the first time. Finally, a total of 91 compounds, including 17 succinic acid ester glycosides, 9 stilbenes, 6 phenanthrenes, 19 alkaloids, 11 terpenoids and steroids, 20 phenolic acid derivatives, and 9 others, were identified in the tubers of G. conopsea based on the accurate mass within 3 ppm error. Furthermore, many alkaloids, phenolic acid derivates, and terpenes were reported from G. conopsea for the first time. This rapid method provides an important scientific basis for further study on the cultivation, clinical application, and functional food of G. conopsea.

scholarly journals GC-MS Chemical Characterization of Main Components of Smilax Domingensis Wild. in Cuba

2018 ◽  
Vol 5 (4) ◽  
pp. 79 ◽  
Author(s):  
Pilar A. Soledispa ◽  
José González ◽  
Armando Cuéllar ◽  
Julio Pérez ◽  
Max Monan
Keyword(s):  
Mass Spectra ◽  
Chemical Constituents ◽  
Chemical Characterization ◽  
Ethanolic Extract ◽  
Chemical Compounds ◽  
Chemical Components ◽  
Analytical Technique ◽  
Main Components ◽  
First Time

A preliminary chemical characterization of main components of ethanolic extract with dried rhizomes of Smilax domingensis Wid. that grow in Cuba was done using a GCMS-QP2010 Ultra Shimadzu and the mass spectra of the compounds found in the extract was matched with the National Institute of Standards and Technology (NIST) library. After sample derivatization 125 chemical compounds were registered by the equipment and from them, 35 different chemical components were characterized and reported for the first time from this part of the plant in our country. The results demonstrate the developed method could be employed as a rapid and versatile analytical technique for identification of chemical constituents and quality control of Smilax domingensis.

scholarly journals UPLC-QTOF/MS-Based Nontargeted Metabolomic Analysis of Mountain- and Garden-Cultivated Ginseng of Different Ages in Northeast China

Molecules ◽  
2018 ◽  
Vol 24 (1) ◽  
pp. 33 ◽  
Author(s):  
Hailin Zhu ◽  
Hongqiang Lin ◽  
Jing Tan ◽  
Cuizhu Wang ◽  
Han Wang ◽  
...  
Keyword(s):  
Statistical Analysis ◽  
Multivariate Statistical Analysis ◽  
Chemical Constituents ◽  
Octadecenoic Acid ◽  
Chemical Components ◽  
Metabolomic Analysis ◽  
Multivariate Statistical ◽  
Similar Chemical ◽  
Different Ages ◽  
First Time

Aiming at further systematically comparing the similarities and differences of the chemical components in ginseng of different ages, especially comparing the younger or the older and mountain-cultivated ginseng (MCG), 4, 5, 6-year-old cultivated ginseng (CG) and 12, 20-year-old MCG were chosen as the analytical samples in the present study. The combination of UPLC-QTOF-MSE, UNIFI platform and multivariate statistical analysis were developed to profile CGs and MCGs. By the screening analysis based on UNIFI, 126 chemical components with various structural types were characterized or tentatively identified from all the CG and MCG samples for the first time. The results showed that all the CG and MCG samples had the similar chemical composition, but there were significant differences in the contents of markers. By the metabolomic analysis based on multivariate statistical analysis, it was shown that CG4–6 years, MCG12 years and MCG20 years samples were obviously divided into three different groups, and a total of 17 potential age-dependent markers enabling differentiation among the three groups of samples were discovered. For differentiation from other two kinds of samples, there were four robust makers such as α-linolenic acid, 9-octadecenoic acid, linoleic acid and panaxydol for CG4–6 years, five robust makers including ginsenoside Re1, -Re2, -Rs1, malonylginsenoside Rb2 and isomer of malonylginsenoside Rb1 for MCG20 years, and two robust makers, 24-hydroxyoleanolic acid and palmitoleic acid, for MCG12 years were discovered, respectively. The proposed approach could be applied to directly distinguish MCG root ages, which is an important criterion for evaluating the quality of MCG. The results will provide the data for the further study on the chemical constituents of MCG.

scholarly journals Characterization by GC-MS of the Main Ethanolic Extract’S Components from the Bark of Talipariti elatum Sw. (Fryxell) Malvaceae

2018 ◽  
Vol 6 (2) ◽  
pp. 1
Author(s):  
José González ◽  
Armando Cuéllar ◽  
Enrique Gómez ◽  
Julio Pérez ◽  
Max Monan
Keyword(s):  
Quality Control ◽  
Crude Extract ◽  
Mass Spectra ◽  
Chemical Constituents ◽  
Ethanolic Extract ◽  
Soxhlet Extraction ◽  
Chemical Compounds ◽  
Chemical Components ◽  
Analytical Technique ◽  
First Time

Talipariti elatum (Sw.), commonly named Blue Mahoe, is used as antasthmatic, antitussive, against catarrh and expectorant in phytotherapy in Cuba, although the plants’ composition has not been determined in detail so far. An ethanolic extract from the bark of Talipariti elatum Sw. (Fryxell) Malvaceae that grows in Cuba was prepared by Soxhlet extraction with ethanol at 95% during 20 hours. The crude extract without purification was analyzed using a GCMS-QP2010 Ultra Shimadzu, and the components were identified by comparing their retention times and their mass spectra with those of NIST21Library. About 45 different chemical compounds were detected in the sample and from them, 31 chemical components were characterized and reported for the first time from Talipariti elatum. Our results demonstrate the developed method could be employed as a rapid and versatile analytical technique for identification of chemical constituents and quality control of Talipariti samples.

Antioxidant Constituents from the Stem and Leaf of Helicteres hirsuta Loureiro

2020 ◽  
Vol 10 ◽  
Author(s):  
Nguyen Thanh Tra ◽  
Ba Thi Cham ◽  
Nguyen Thi Thu Ha ◽  
Le Thi Tu Anh ◽  
Nguyen Van Tuyen ◽  
...  
Keyword(s):  
Rat Liver ◽  
Chemical Constituents ◽  
Positive Control ◽  
Liver Cells ◽  
Phytochemical Analysis ◽  
Etoac Extract ◽  
Mtt Method ◽  
Rat Liver Cells ◽  
First Time

Background: Helicteres hirsuta has been used traditionally as a useful agent for hepatoprotective treatment. The aim of the current study is to isolate chemical constituents from the EtOAc extract of Helicteres hirsuta stem and evaluate the capacity of the isolated compounds against hydroperoxide damaged rat liver cells Methods: Column chromatography was used for phytochemical isolation whereas MTT method was applied for intracellular antioxidative assay Results: Phytochemical analysis of the EtOAc extract of Helicteres hirsuta stem led to the isolation and determination of four triterpenoids betulin (1), bentulinic acid (2), alphitolic acid (3), and oleanolic acid (4), together with two steroids stigmast-4-ene-6β-ol-3-one (5), and β-sitostenone (6), whereas EtOAc extract of its leaf composed of three steroids cucurbitacin D (11), cucurbitacin I (12), and simiarenol (13), four flavonoids tiliroside (14), potengriffioside A (15), kaempferide (16), and isokaempferide (17), along with two carotenoids lutelin (18), and β-carotene (19). Isolated compounds 3, 5, 6, 16, and 17 were found in genus Helicteres for the first time, while carotenoids 18, and 19 were never isolated from family Sterculiaceae before. Phytochemicals derived H. hirsuta species are also useful agents for antioxidative drugs, e.g, flavonol 17 induced the significant EC50 value of 22.24 ± 0.14 μg/mL, as compared with that of positive control curcumin (EC50 19.33 ± 0.77 μg/mL), against hydroperoxide damaged rat liver cells Conclusion: Antioxidative activity of the EtOAc extract of Helicteres hirsuta stem against hydroperoxide is mostly based on the role of flavonoids.

scholarly journals A STUDY OF PHYTOCHEMICAL CONSTITUENTS IN CARALLUMA QUADRANGULA

2020 ◽  
Author(s):  
Jamal A. N. Al-Mahweety ◽  
Sadeq HS Azzam ◽  
Ali Alyahawi
Keyword(s):  
Peer Review ◽  
Folk Medicine ◽  
Chemical Components ◽  
Phytochemical Analysis ◽  
Medicinal Uses ◽  
Initial Stage ◽  
Unique System ◽  
Review Reports ◽  
First Time ◽  
E Mail

Objectives:  Caralluma belongs to the family Asclepiadaceae, native to the Indian sub-continent have different medicinal properties and used in folk medicine as remedies to treat wide variety of diseases and health conditions. Objective of present study was to isolate, analyze and identify the phytochemicals composition from steam of Caralluma  quadrangula. Methods:  Extractions of the chemical components was carried out by different chromatographic techniques. The phytochemical characterizations were evaluated by nuclear magnetic resonance and mass spectrometry. Results:  The quantitative phytochemical analysis of this species exhibited the presence of three compounds, Glochidonol (5gm), Dihydroxy-14-pregn-5-en-20-one (9.8gm), Hydroxystigmast-5-en-7-one (7.8gm) and Stigmasterol (5.7 mg). Hydroxystigmast-5-en-7-one, report from Caralluma  quadrangula stem as first time.     Conclusion:  The present study is strengthen for the discovery three pure chemical compounds from C. quadrangula. Peer Review History: Received 2 April 2019; Revised 22 April; Accepted 7 May, Available online 15 May 2020 UJPR follows the most transparent and toughest ‘Advanced OPEN peer review’ system. The identity of the authors and, reviewers will be known to each other. This transparent process will help to eradicate any possible malicious/purposeful interference by any person (publishing staff, reviewer, editor, author, etc) during peer review. As a result of this unique system, all reviewers will get their due recognition and respect, once their names are published in the papers. We expect that, by publishing peer review reports with published papers, will be helpful to many authors for drafting their article according to the specifications. Auhors will remove any error of their article and they will improve their article(s) according to the previous reports displayed with published article(s). The main purpose of it is ‘to improve the quality of a candidate manuscript’. Our reviewers check the ‘strength and weakness of a manuscript honestly’. There will increase in the perfection, and transparency. Received file Average Peer review marks at initial stage: 4.5/10 Average Peer review marks at publication stage: 7.0/10 Reviewer(s) detail: Name: Ahmad Najib Affiliation: Universitas Muslim Indonesia, Makassar, Indonesia E-mail: [email protected]   Name: Dr. Hatem Sameir Abbas Affiliation: Al-Azhar University, Egypt E-mail: [email protected] Comments of reviewer(s): Similar Articles: A REVIEW ON CONSTITUENTS, PHARMACOLOGICAL ACTIVITIES AND MEDICINAL USES OF GLYCYRRHIZA GLABRA MURRAYA KOENIGI-A BOON IN DIFFERENT PATHOLOGICAL CONDITIONS

scholarly journals Applications, phytochemistry, pharmacological effects, pharmacokinetics, toxicity of Scutellaria baicalensis Georgi. and its probably potential therapeutic effects on COVID-19: a review

2020 ◽  
Vol 15 (1) ◽  
Author(s):  
Jia-Wen Song ◽  
Jia-Ying Long ◽  
Long Xie ◽  
Lin-Lin Zhang ◽  
Qing-Xuan Xie ◽  
...  
Keyword(s):  
Animal Feed ◽  
Scutellaria Baicalensis ◽  
Research Progress ◽  
Network Pharmacology ◽  
Chemical Components ◽  
Phytochemical Analysis ◽  
Therapeutic Effects ◽  
Pharmacological Effects ◽  
Active Ingredients ◽  
Wide Range

Abstract Scutellaria baicalensis Georgi. (SB) is a common heat-clearing medicine in traditional Chinese medicine (TCM). It has been used for thousands of years in China and its neighboring countries. Clinically, it is mostly used to treat diseases such as cold and cough. SB has different harvesting periods and processed products for different clinical symptoms. Botanical researches proved that SB included in the Chinese Pharmacopoeia (1st, 2020) was consistent with the medicinal SB described in ancient books. Modern phytochemical analysis had found that SB contains hundreds of active ingredients, of which flavonoids are its major components. These chemical components are the material basis for SB to exert pharmacological effects. Pharmacological studies had shown that SB has a wide range of pharmacological activities such as antiinflammatory, antibacterial, antiviral, anticancer, liver protection, etc. The active ingredients of SB were mostly distributed in liver and kidney, and couldn't be absorbed into brain via oral absorption. SB’s toxicity was mostly manifested in liver fibrosis and allergic reactions, mainly caused by baicalin. The non-medicinal application prospects of SB were broad, such as antibacterial plastics, UV-resistant silk, animal feed, etc. In response to the Coronavirus Disease In 2019 (COVID-19), based on the network pharmacology research, SB’s active ingredients may have potential therapeutic effects, such as baicalin and baicalein. Therefore, the exact therapeutic effects are still need to be determined in clinical trials. SB has been reviewed in the past 2 years, but the content of these articles were not comprehensive and accurate. In view of the above, we made a comprehensive overview of the research progress of SB, and expect to provide ideas for the follow-up study of SB.

scholarly journals Research on the Mechanism of Qushi Huayu Decoction in the Intervention of Nonalcoholic Fatty Liver Disease Based on Network Pharmacology and Molecular Docking Technology

2020 ◽  
Vol 2020 ◽  
pp. 1-12
Author(s):  
Shan-shan Gao ◽  
Ji-jia Sun ◽  
Xin Wang ◽  
Yi-yang Hu ◽  
Qin Feng ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Liver Disease ◽  
Fatty Liver ◽  
Nonalcoholic Fatty Liver Disease ◽  
Signaling Pathway ◽  
Active Ingredient ◽  
Fatty Liver Disease ◽  
Network Pharmacology ◽  
Chemical Components ◽  
Nonalcoholic Fatty Liver

Objective. To use network pharmacology and molecular docking technology in predicting the main active ingredients and targets of Qushi Huayu Decoction (QHD) treatment in Nonalcoholic Fatty Liver Disease (NAFLD) and explore the potential mechanisms of its multi-component-multi-target-multi-pathway. Materials and Methods. The main chemical components of QHD were searched using traditional Chinese medicine system pharmacology technology platform (TCMSP) and PubChem database. The main chemical components of the prescription were ADMET screened by the ACD/Labs software. The main active ingredient was screened by 60% oral bioavailability, and 60% of “bad” ingredients were removed from the drug-like group. Swiss Target Prediction, the SEA, and HitPick systems were sequentially used to search for the target of each active ingredient, and a network map of the QHD’s target of the active ingredient was constructed. Genome annotation database platforms (GeneCards, OMIM, and DisGeNET) were used to predict action targets related to fatty liver disease. “Drug-Disease-Target” network diagram could be visualized with the help of Cytoscape (3.7.1) software. UniProt and STRING database platforms were used to build a protein interaction network. The KEGG signal pathway and DAVID platform were analyzed for biological process enrichment. Results. A total of 128 active ingredients and 275 corresponding targets in QHD were discovered through screening. 55 key target targets and 27 important signaling pathways were screened, such as the cancer pathway, P13K-AKT signaling pathway, PPAR signaling pathway, and other related signaling pathways. Conclusions. The present study revealed the material basis of QHD and discussed the pharmacological mechanism of QHD in fatty liver, thus providing a scientific basis for the clinical application and experimental research of QHD in the future.

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