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 Study of the active ingredients and mechanism of Sparganii rhizoma in gastric cancer based on HPLC-Q-TOF–MS/MS and network pharmacology

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Xiaona Lu ◽  
Yawei Zheng ◽  
Fang Wen ◽  
Wenjie Huang ◽  
Xiaoxue Chen ◽  
...  
Keyword(s):  
Gastric Cancer ◽  
Aqueous Extract ◽  
Target Prediction ◽  
Network Pharmacology ◽  
Chemical Components ◽  
Therapeutic Effects ◽  
Active Ingredients ◽  
Hub Genes ◽  
Anticancer Mechanism ◽  
Tof Ms

AbstractSparganii rhizoma (SL) has potential therapeutic effects on gastric cancer (GC), but its main active ingredients and possible anticancer mechanism are still unclear. In this study, we used HPLC-Q-TOF–MS/MS to comprehensively analyse the chemical components of the aqueous extract of SL. On this basis, a network pharmacology method incorporating target prediction, gene function annotation, and molecular docking was performed to analyse the identified compounds, thereby determining the main active ingredients and hub genes of SL in the treatment of GC. Finally, the mRNA and protein expression levels of the hub genes of GC patients were further analysed by the Oncomine, GEPIA, and HPA databases. A total of 41 compounds were identified from the aqueous extract of SL. Through network analysis, we identified seven main active ingredients and ten hub genes: acacetin, sanleng acid, ferulic acid, methyl 3,6-dihydroxy-2-[(2-hydroxyphenyl) ethynyl]benzoate, caffeic acid, adenine nucleoside, azelaic acid and PIK3R1, PIK3CA, SRC, MAPK1, AKT1, HSP90AA1, HRAS, STAT3, FYN, and RHOA. The results indicated that SL might play a role in GC treatment by controlling the PI3K-Akt and other signalling pathways to regulate biological processes such as proliferation, apoptosis, migration, and angiogenesis in tumour cells. In conclusion, this study used HPLC-Q-TOF–MS/MS combined with a network pharmacology approach to provide an essential reference for identifying the chemical components of SL and its mechanism of action in the treatment of GC.

scholarly journals Phytochemical Analysis Using UPLC-MSn Combined with Network Pharmacology Approaches to Explore the Biomarkers for the Quality Control of the Anticancer Tannin Fraction of Phyllanthus emblica L. Habitat in Nepal

2021 ◽  
Vol 2021 ◽  
pp. 1-19
Author(s):  
Lingfang Wu ◽  
Qiunan Zhang ◽  
Wenyi Liang ◽  
Yongben Ma ◽  
Liying Niu ◽  
...  
Keyword(s):  
Quality Control ◽  
Tibetan Medicine ◽  
Network Pharmacology ◽  
Phytochemical Analysis ◽  
Therapeutic Effects ◽  
Phyllanthus Emblica ◽  
Active Ingredients ◽  
Simple Method ◽  
Chebulagic Acid ◽  
Traditional Tibetan Medicine

Phyllanthus emblica L. is widely used in traditional Tibetan medicine for its therapeutic effects on treating liver, kidney, and bladder problems. We have reported that the tannin fraction has a good anti-hepatocellular carcinoma effect, but its active ingredients are not clear. This study was to find the active ingredients of the tannin fraction using UPLC-MSn and network pharmacology. First of all, the UPLC-MSn method was employed to obtain high-resolution mass spectra of different components, and 110 compounds were obtained. Then a network pharmacology method was used to find biomarkers for quality control. Network pharmacology results showed that gallic acid, punicalagin A, punicalagin B, methyl gallate, geraniin, corilagin, chebulinic acid, chebulagic acid, and ellagic acid should be the biomarkers of the tannin fraction. Furthermore, 9 components were detected in the serum, which also proved that they could be biomarkers, because we generally believe that the ingredients which are absorbed into the blood are effective. In the end, a simple method for simultaneously determining the contents of the 9 compounds was constructed by HPLC-DAD. This research established a new method to find biomarkers of traditional Chinese medicine. This is of great significance to improving the quality standards of Tibetan medicine.

scholarly journals Potential mechanisms of Guizhi decoction against hypertension based on network pharmacology and Dahl salt-sensitive rat model

2021 ◽  
Vol 16 (1) ◽  
Author(s):  
Jiye Chen ◽  
Yongjian Zhang ◽  
Yongcheng Wang ◽  
Ping Jiang ◽  
Guofeng Zhou ◽  
...  
Keyword(s):  
Signaling Pathway ◽  
Rat Model ◽  
Experimental Studies ◽  
Matrix Metalloproteinase 2 ◽  
Network Pharmacology ◽  
Pathway Enrichment Analysis ◽  
Therapeutic Effects ◽  
Active Ingredients ◽  
Active Compounds ◽  
Guizhi Decoction

Abstract Background Guizhi decoction (GZD), a classical Chinese herbal formula, has been widely used to treat hypertension, but its underlying mechanisms remain elusive. The present study aimed to explore the potential mechanisms and therapeutic effects of GZD on hypertension by integrating network pharmacology and experimental validation. Methods The active ingredients and corresponding targets were collected from the Traditional Chinese Medicine Systems Pharmacology database and Analysis Platform (TCMSP). The targets related to hypertension were identified from the CTD, GeneCards, OMIM and Drugbank databases. Multiple networks were constructed to identify the key compounds, hub targets, and main biological processes and pathways of GZD against hypertension. The Surflex-Dock software was used to validate the binding affinity between key targets and their corresponding active compounds. The Dahl salt-sensitive rat model was used to evaluate the therapeutic effects of GZD against hypertension. Results A total of 112 active ingredients, 222 targets of GZD and 341 hypertension-related targets were obtained. Furthermore, 56 overlapping targets were identified, five of which were determined as the hub targets for experimental verification, including interleukin 6 (IL-6), C–C motif chemokine 2 (CCL2), IL-1β, matrix metalloproteinase 2 (MMP-2), and MMP-9. Pathway enrichment analysis results indicated that 56 overlapping targets were mainly enriched in several inflammation pathways such as the tumor necrosis factor (TNF) signaling pathway, Toll-like receptor (TLR) signaling pathway and nuclear factor kappa-B (NF-κB) signaling pathway. Molecular docking confirmed that most active compounds of GZD could bind tightly to the key targets. Experimental studies revealed that the administration of GZD improved blood pressure, reduced the area of cardiac fibrosis, and inhibited the expression of IL-6, CCL2, IL-1β, MMP-2 and MMP-9 in rats. Conclusion The potential mechanisms and therapeutic effects of GZD on hypertension may be attributed to the regulation of cardiac inflammation and fibrosis.

scholarly journals Bacopa Monnieri: A Wonder Drug Changing Fortune of People

2017 ◽  
Vol 5 (2) ◽  
pp. 127-132 ◽  
Author(s):  
Kriti Rai ◽  
Nirmala Gupta ◽  
Lakshya Dharamdasani ◽  
Pallavi Nair ◽  
Prerna Bodhankar
Keyword(s):  
Chemical Constituents ◽  
Bacopa Monnieri ◽  
Phytochemical Analysis ◽  
Therapeutic Effects ◽  
Herbal Products ◽  
Biochemical Compounds ◽  
Wide Range ◽  
Low Toxicity ◽  
Wonder Drug ◽  
Memory Enhancer

In recent times, the use of herbal products has increased enormously across the globe. Numerous natural products such as those isolated from plants have been evaluated as therapeutics for the treatment of variety of diseases. Bacopa monnieri also referred to as water hyssop and “Brahmi,” has been used in the Ayurvedic system of medicine since time immemorial. It belongs to the family Scrophulariaceae and is an annual creeping plant found in wet, damp, and marshy areas. Phytochemical analysis of BM extracts revealed the presence of various biochemical compounds such as alkaloids, bacosides, flavonoids, glycosides, triterpenoids and saponins etc. The major therapeutic chemical constituents of this plant identified through various researches are the triterpenoids saponins, bacosides. Bacoside A has been recognized as the chief component responsible for therapeutic effects.  BM is conventionally used for diverse ailments, but is best known as memory enhancer. A vast range of studies using methanolic and ethanolic extracts of BM have shown its effect in treatment of wide range of diseases like diabetes, depression, cancer, inflammation etc. BM appears to demonstrate low toxicity in various rat, mice models including humans however, long-term studies of toxicity in humans still need to study in great details. This review focuses on the studies that have traced both pharmacological and phytochemical properties of plant Bacopa monnieri covering wide range of its effect on anti- depression, anti-inflammatory, anti-oxidative amongst many others which can surely help in betterment of mankind.Int. J. Appl. Sci. Biotechnol. Vol 5(2): 127-132

scholarly journals Elucidation of the active compounds and molecular mechanisms of Smilacis Chinae Rhizoma for treatment of pelvic inflammatory disease based on network pharmacology and MMGBSA-docking

2020 ◽  
Author(s):  
Yunsen Zhang ◽  
Zikuang Zhao ◽  
Wenxiang Wang ◽  
Qi Li ◽  
Huimin Chen ◽  
...  
Keyword(s):  
Pelvic Inflammatory Disease ◽  
Signaling Pathway ◽  
Inflammatory Disease ◽  
Molecular Mechanisms ◽  
Binding Free Energy ◽  
Network Pharmacology ◽  
Therapeutic Effects ◽  
Active Ingredients ◽  
Active Compounds ◽  
Bidirectional Regulation

Abstract Background Smilacis Chinae Rhizoma (SCR) is widely used in the treatment of pelvic inflammatory disease (PID). However, its active ingredients and the mechanisms against PID remain elusive. This study aimed to clarify the active ingredients and explore their molecular mechanisms on PID. Method Network pharmacology and MMGBSA-docking exploited the active compounds and mechanisms against PID, as well as validating the binding mode of candidate targets.Results Network pharmacology revealed 32 active compounds and 718 compound-related targets mapped to 91 pathways which were clustered 7 genres (e.g., immunoregulation). C-T-P network and PPI analysis illustrated 17 PID-related targets, indicating that SCR may decrease inflammation, ameliorate fibrosis, and inhibit microorganisms via bidirectionally regulating IL-17 signaling pathway. Furthermore, active compounds were uncovered that bound to prostaglandin-endoperoxide synthase 2, matrix metalloprotein-9, lipocalin, signal transducer and activator of transcription 3, myeloperoxidase, and tumor necrosis factor. 19 active compounds (e.g., rutin (-66.43 kcal/mol), moracin M (-37.01 kcal/mol) and oxyresveratrol (-38.84 kcal/mol)) were found to show excellent binding free energy, demonstrating that H-bond, Pi electron cloud and electrostatic potential as the main binding ability to these targets. Conclusion Approach of network pharmacology and MMGBSA-docking revealed the active ingredients, such as rutin, moracin M, and oxyresveratrol, in SCR and dissected it exhibits the therapeutic effects (e.g., decrease inflammation, ameliorate fibrosis, and inhibit microorganisms) of PID by the bidirectional regulation of IL-17 signaling pathway.

scholarly journals Anthocyanins: Promising Natural Products with Diverse Pharmacological Activities

Molecules ◽  
2021 ◽  
Vol 26 (13) ◽  
pp. 3807
Author(s):  
Jiaqi Liu ◽  
Hongbing Zhou ◽  
Li Song ◽  
Zhanjun Yang ◽  
Min Qiu ◽  
...  
Keyword(s):  
Natural Products ◽  
Research Progress ◽  
Therapeutic Effects ◽  
Anticancer Effect ◽  
Pharmacological Activities ◽  
Pharmacological Agents ◽  
Wide Range ◽  
Health Promoting ◽  
Disease Impact ◽  
Antioxidant Effects

Anthocyanins are natural products that give color to plants. As natural plant pigments, anthocyanins also have a series of health-promoting benefits. Many researchers have proved that anthocyanins have therapeutic effects on diseases, such as circulatory, nervous, endocrine, digestive, sensory, urinary and immune systems. Additionally, a large number of studies have reported that anthocyanins have an anticancer effect through a wide range of anti-inflammatory and antioxidant effects. The anti-disease impact and mechanism of anthocyanins are diverse, so they have high research value. This review summarizes the research progress of anthocyanins on the pharmacological agents of different diseases to provide references for subsequent research.

scholarly journals Exploring the Active Compounds of Traditional Mongolian Medicine Baolier Capsule (BLEC) in Patients with CAD Based on Network Pharmacology Analysis and Molecular Docking Method

2021 ◽  
Author(s):  
Mengqiu Wei ◽  
Jun Liu ◽  
Jun Lai ◽  
Meifang Leng ◽  
Zebing Ye ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Topological Analysis ◽  
Network Pharmacology ◽  
Pharmacological Effects ◽  
Ppi Network ◽  
Active Ingredients ◽  
Active Compounds ◽  
Docking Method ◽  
Traditional Mongolian Medicine ◽  
Molecular Docking Method

Abstract Baolier Capsule (BLEC) is a Traditional Mongolian Medicine comprising of fifteen herbs. In China, this medicine has been used to treat CAD for many years. However, the molecular mechanism of BLEC in the treatment of CAD is not yet fully understood. Hence, this study aims to illustrate the synergistic mechanism of BLEC in the treatment of CAD by using network pharmacology method and molecular docking. Searching and screening the active ingredients of different herbs in BLEC and target genes related to CAD in multiple databases. Subsequently, STRING and Cytoscape were used to analyze and construct the PPI network. In addition, clustering and topological analysis are used to analyze the PPI network. Then, using R project for GO and KEGG enrichment analysis. Finally, AutoDock was used to verify the binding ability between the active ingredient and the key target through molecular docking. There are 144 active components and 80 CAD-related targets that are identified in BLEC in the treatment of CAD. What is more, 8 core genes (AKT1, EGFR, FOS, etc.) were obtained by clustering and topological analysis. Further, GO and KEGG analysis showed that fluid shear stress and atherosclerosis is the key pathways for RWW to treat CAD. These results were validated by molecular docking method. Our research firstly revealed the basic pharmacological effects and relevant mechanisms of the BLEC in the treatment of CAD. The prediction results might facilitate the development of BLEC or its active compounds as alternative therapy for CAD. Our research first revealed the basic pharmacological effects and related mechanisms of BLEC in the treatment of CAD. The predicted results provide some theoretical support for BLEC or its important active ingredients to treat CAD.

scholarly journals The Important Herbal Pair for the Treatment of COVID-19 and Its Possible Mechanisms

2020 ◽  
Author(s):  
Shujie Xia ◽  
Zhangfeng Zhong ◽  
Bizhen Gao ◽  
Chi Teng Vong ◽  
Jin Cai ◽  
...  
Keyword(s):  
Virus Disease ◽  
Mitogen Activated Protein Kinase ◽  
Network Pharmacology ◽  
Therapeutic Effects ◽  
Active Ingredients ◽  
Active Components ◽  
Ephedra Sinica ◽  
Rule Approach ◽  
Amygdalus Communis ◽  
Ephedra Sinica Stapf

Abstract Background: Corona Virus Disease 2019 (COVID-19) is an unprecedented disaster for people around the world. Many studies have shown that traditional Chinese medicines(TCM) are indeed effective in treating COVID-19. However, it is a hard work to find the most effective combination laws among numerous herbs as well as its potential mechanisms. The purpose of this article is to explore the combination laws of traditional Chinses medicine(TCM) prescriptions and pick out the most important herbal pair for treating COVID-19 and analyze the active components and potential mechanisms. Methods: We first systematically sorted out the TCM prescriptions recommended by leading experts for treating COVID-19 and the specific herbs they contained in different stages of disease. Next, the association rule approach was employed to examine the distribution and combination laws among these TCM prescription, and then picked out the most important herbal pair. On this basis, we further investigated the active ingredients and potential targets in the selected herbal pair by a network pharmacology approach. Result: We obtained 32 association rules for herb combinations in the process of TCM treatment for COVID-19. It was found that the combination of Amygdalus Communis Vas(ACV) and Ephedra sinica Stapf (ESS) had the highest confidence degree and lift value as well as high support degree, which can be used in almost all stages of COVID-19, so ACV and ESS (AE) was selected as the most important herbal pair. There were 26 active ingredients and 44 potential targets, which may be relate to the herbal pair of AE against COVID-19. The main active ingredients of AE against COVID-19 are quercetin, kaempferol, luteolin and the potential important targets are Interleukin 6 (IL-6), Mitogen-activated Protein Kinase 1 (MAPK)1, MAPK8, Interleukin-1β (IL-1β), Nuclear factor kappa-light-chain-enhancer of activated B cells (NF-kB) p65 subunit (RELA) and so on. The protein-protein interaction (PPI) cluster demonstrated that IL-6 was the seed in the cluster, which plays an important role in connecting other nodes in the PPI network. The significant pathways mainly involved in tumor necrosis factor (TNF), Toll-like receptor (TLR), hypoxia-inducible factor-1 (HIF-1), nucleotide-binding oligomerization domain (NOD)-like receptor(NLRs). Conclusion: Amygdalus Communis Vas and Ephedra sinica Stapf was the most important herbal pair in the treatment of COVID-19. The main active ingredients of AE against COVID-19 were quercetin, kaempferol, luteolin and the important targets were IL-6，MAPK1, MAPK8, IL-1β, RELA and so on. AE may have therapeutic effects against COVID-19 by affecting the pathological processes such as inflammatory and immune responses, cell apoptosis, hypoxia damage and other pathological processes through multiple components, multiple targets and multiple pathways.

scholarly journals Exploring the Potential Mechanism of Xiaokui Jiedu Decoction for Ulcerative Colitis Based on Network Pharmacology and Molecular Docking

2021 ◽  
Vol 2021 ◽  
pp. 1-11
Author(s):  
Bin Wang ◽  
Yang Liu ◽  
Jianhui Sun ◽  
Nailin Zhang ◽  
Xiaojia Zheng ◽  
...  
Keyword(s):  
Ulcerative Colitis ◽  
Molecular Docking ◽  
Enrichment Analysis ◽  
Network Pharmacology ◽  
Therapeutic Effects ◽  
Potential Mechanism ◽  
Related Gene ◽  
Active Ingredients ◽  
Colon Cells ◽  
Hub Gene

Introduction. Network pharmacology is in line with the holistic characteristics of TCM and can be used to elucidate the complex network of interactions between disease-specific genes and compounds in TCM herbal medicines. Here, we investigate the pharmacological mechanism of Xiaokui Jiedu decoction (XJD) for the treatment of ulcerative colitis (UC). Methods. The Computational Systems Biology Laboratory Platform (TCMSP) database was searched and screened for the active ingredients of all drugs in XJD. The Uniport database was used to retrieve possible gene targets for the therapeutic effects of XJD. GeneCards, PharmGKB, TTD, and OMIM databases were used to retrieve XJD-related gene targets. A herb-compound-protein network and a protein-protein interaction (PPI) network were constructed, and hub genes were screened for Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses. Finally, molecular docking was performed to validate the interrelationship between disease target proteins and active drug components. Results. A total of 135 XJD potential action targets, 5097 UC-related gene targets, and 103 XJD-UC intersection gene targets were screened. The hub gene targets of XJD that exert therapeutic effects on UC are RB1, MAPK1, TP53, JUN, NR3C1, MAPK3, and ESR1. GO enrichment analysis showed 741 biofunctional enrichments, and KEGG enrichment analysis showed 124 related pathway enrichments. Molecular docking showed that the active components of XJD (β-sitosterol, kaempferol, formononetin, quercetin, and luteolin) showed good binding activities to five of the six hub gene targets. Discussion. The active ingredients of XJD (β-sitosterol, kaempferol, formononetin, quercetin, and luteolin) may regulate the inflammatory and oxidative stress-related pathways of colon cells during the course of UC by binding to the hub gene targets. This may be a potential mechanism of XJD in the treatment of UC.

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