Investigation of the active ingredients and pharmacological mechanisms of Porana sinensis Hemsl. Against rheumatoid arthritis using network pharmacology and experimental validation

Hu, Jing; Zhao, Li; Li, Ning; Yang, Yuanyuan; Qu, Tong; Ren, Hui; Cui, Xiaomin; Tao, Hongxun; Chen, Zhiyong; Peng, Yichuan

doi:10.1371/journal.pone.0264786

Cited by 6 publications

(5 citation statements)

References 30 publications

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“…Additionally, esculetin (10-100 µg/ml) inhibits IL-6 production in TNF-α stimulated human osteosarcoma MG-63 cells (67). Esculetin (1-10 µg/ml) can also inhibit the release of inflammatory mediators, such as NO, TNF-α, IL-1β, IL-6 and monocyte chemoattractant protein-1 (MCP-1) in LPS-induced RAW 264.7 cells (68)(69)(70)(71). Further studies demonstrate that the anti-inflammatory effect of esculetin is associated with inhibiting the NF-κB signaling pathway (72)(73)(74)(75)(76)(77).…”

Section: Anti-inflammatory Activities Of Esculetin and Esculinmentioning

confidence: 99%

Antioxidant and anti‑inflammatory effects of esculin and esculetin (Review)

Ju,

Tan,

Wang

et al. 2024

Exp Ther Med

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Fraxinus chinensis Roxb is a deciduous tree, which is distributed worldwide and has important medicinal value. In Asia, the bark of Fraxinus chinensis Roxb is a commonly used traditional Chinese medicine called Qinpi. Esculetin is a coumarin compound derived from the bark of Fraxinus chinensis Roxb and its glycoside form is called esculin. The aim of the present study was to systematically review relevant literature on the antioxidant and anti-inflammatory effects of esculetin and esculin. Esculetin and esculin can promote the expression of various endogenous antioxidant proteins, such as superoxide dismutase, glutathione peroxidase and glutathione reductase. This is associated with the activation of the nuclear factor erythroid-derived factor 2-related factor 2 signaling pathway. The anti-inflammatory effects of esculetin and esculin are associated with the inhibition of the nuclear factor κ-B and mitogen-activated protein kinase inflammatory signaling pathways. In various inflammatory models, esculetin and esculin can reduce the expression levels of various proinflammatory factors such as tumor necrosis factor-α, interleukin (IL)-1β and IL-6, thereby inhibiting the development of inflammation. In summary, esculetin and esculin may be promising candidates for the treatment of numerous diseases associated with inflammation and oxidative stress, such as ulcerative colitis, acute lung and kidney injury, lung cancer, acute kidney injury. Contents 1. Introduction 2. Antioxidant activities of esculin and esculetin 3. Anti-inflammatory activities of esculetin and esculin 4. Conclusion and future perspectives

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Section: Anti-inflammatory Activities Of Esculetin and Esculinmentioning

confidence: 99%

Antioxidant and anti‑inflammatory effects of esculin and esculetin (Review)

Ju,

Tan,

Wang

et al. 2024

Exp Ther Med

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“…HIF-1α increases the production of inflammatory cytokines and promotes angiogenesis in rheumatic arthritis patients ( Park et al, 2015 ). We reported that the 40% ethanol extract of P. sinensis alleviates rheumatoid arthritis by regulating the PI3K-Akt and HIF-1 signaling pathways ( Hu et al, 2022 ).…”

Section: Pharmacological Activities Of Porana Plantsmentioning

confidence: 99%

“…COX-2 is a critical enzyme that catalyzes the conversion of arachidonic acid to prostaglandins, and this study confirmed the inhibitory effect of extract 1 on PGE2 synthesis. We reported that 40% ethanol extract of P. sinensis (extract 3 ) inhibits the release of inflammatory mediators (NO, TNF-α, IL-1β, and IL-6) in LPS-induced RAW 264.7 cells ( Hu et al, 2022 ). Extract 3 attenuates the severity, pathological changes, and release of cytokines (IL-6 and HIF-1α) during rheumatoid arthritis progression by regulating the PI3K/Akt and HIF-1 pathways ( Hu et al, 2022 ).…”

Section: Pharmacological Activities Of Porana Plantsmentioning

confidence: 99%

The genus Porana (Convolvulaceae) - A phytochemical and pharmacological review

Peng

Li²,

Yang³

et al. 2022

Front. Pharmacol.

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There are about 20 species of Porana Burm. f. worldwide in tropical and subtropical Asia, Africa and neighboring islands, Oceania, and the Americas. In China, India, and other places, this genus enjoys a wealth of experience in folk applications. Nevertheless, the chemical composition of only five species has been reported, and 59 compounds have been isolated and identified, including steroids, coumarins, flavonoids, quinic acid derivatives, and amides. Pharmacological studies revealed that extracts from this genus and their bioactive components exhibit anti-inflammatory, analgesic, antioxidant, anti-gout, anti-cancer, and anti-diabetic effects. Although this genus is abundant, the development of its pharmacological applications remains limited. This review will systematically summarize the traditional and current uses, chemical compositions, and pharmacological activities of various Porana species. Network analysis was introduced to compare and confirm its output with current research progress to explore the potential targets and pathways of chemical components in this genus. We hope to increase understanding of this genus’s medicinal value and suggest directions for rational medicinal development.

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“…Using the PubChem (https://pubchem.ncbi.nlm.nih.gov/) database [11], all validated compounds collected were converted into standard Canonical SMILES format, and the SMILES format files were imported into SWISS (http://www. swisstargetprediction.ch/) [12]and the Superpred website (http://prediction.charite.de/), and set the property "homo sapiens" to predict the targets of the compounds.…”

Section: Prediction Of Potential Targetsmentioning

confidence: 99%

A computer simulation-based study on the intervention of active ingredients of Mongolian medicine into the S-protein of SARS-CoV-2-associated variant Omicron

Bao

Morigentu

et al. 2022

Preprint

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BACKGROUND: Omicron VOC (BF.7) is a variant of SARS-CoV-2 that is currently spreading globally as a dominant strain. BF.7 is more infectious than existing Omicron variants, and to date there are no specific therapeutic agents for this variant. METHODS: The active compounds were collected by TCMSP, ETCM database and literature mining method, and the targets of the compounds were searched by Swiss Target Prediction and SUPERPRED database, while the targets of Omiron virus were collected by DisGeNET and GEO database, and then the intersecting targets were compared and analyzed. In this study, Swiss-Model was applied to construct the Spike RBD structure of Omicron variant BF.7 by replacing mutant amino acids into the Native Spike (S) structure, and the structural changes of Native S were compared. The four active compounds screened were docked with Omicron S protein and Omicron S-hACE2 complexes. To evaluate the structural stability of the complexes in a physiological environment, we also performed molecular dynamics simulations of the docked complexes and compared them to the control drug, chloroquine. The affinity of ligands and protein complexes was determined by free energy analysis using the MM-PBSA algorithm, and the structural changes of S proteins in combination with ligands were evaluated. RESULTS: A total of 12 mongolic medicines were screened and 310 active ingredient predictions were made, with a total of 55 genes overlapping with Omicron variants and 14 targets with the largest differences being conserved. Once these 14 targets were mapped to the active ingredients of 12 mongolic herbs, four more precise active ingredients were filtered out. Of these four phytochemicals, Berberine was the most potent inhibitor of Omicron S protein. In addition, molecular docking simulations revealed that Berberine can bind stably to Omicron S protein and the Omicron S-hACE2 complex. Using molecular dynamics simulations, Berberine was shown to be able to form a stable complex with Omicron S in a physiological environment with better results than the control drug chloroquine. Free energy analysis by the MM-PBSA algorithm and evaluation of S protein structural changes following ligand binding also demonstrated a higher affinity of Berberine for Omicron S compared to the other small molecule compounds. CONCLUSION: Berberine was found to have the most substantial inhibitory potential against Omicron VOC (BF.7) S protein and could be further investigated and developed as a potential inhibitor of Omicron.

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Investigation of the active ingredients and pharmacological mechanisms of Porana sinensis Hemsl. Against rheumatoid arthritis using network pharmacology and experimental validation

Cited by 6 publications

References 30 publications

Antioxidant and anti‑inflammatory effects of esculin and esculetin (Review)

Antioxidant and anti‑inflammatory effects of esculin and esculetin (Review)

The genus Porana (Convolvulaceae) - A phytochemical and pharmacological review

A computer simulation-based study on the intervention of active ingredients of Mongolian medicine into the S-protein of SARS-CoV-2-associated variant Omicron

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