Bioactive phenolic fraction of Citrus maxima abate lipopolysaccharide-induced sickness behaviour and anorexia in mice: In-silico molecular docking and dynamic studies of biomarkers against NF-κB

Nandeesh, R.; Vijayakumar, Sachidananda; Munnolli, Abhinandan; Alreddy, Ambika; Veerapur, Veeresh P.; Chandramohan, Vivek; Manjunatha, E

doi:10.1016/j.biopha.2018.10.004

Cited by 20 publications

(9 citation statements)

References 25 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The protein-ligand molecular modeling and computational studies provided insights into the TLR4 co-receptor mechanism and the essential interactions modulating the molecular recognition process of agonist and antagonist ligands [28]. Moreover, recent works indicated that Dexa docked into the DNA binding region of the NF-κB p50 with hydrogen bonding interactions [29]. Virtual molecular screening is usually used for docking small molecules, using the PyRx/AutoDock Vina assembled on the Lamarckian genetic algorithm and the empirical free energy score function [30].…”

Section: Protein-ligand Docking Analysismentioning

confidence: 99%

Imperatorin Interferes with LPS Binding to the TLR4 Co-Receptor and Activates the Nrf2 Antioxidative Pathway in RAW264.7 Murine Macrophage Cells

et al. 2021

View full text Add to dashboard Cite

Imperatorin (IMP) could downregulate several inflammatory transcription factor signaling pathways. Some studies have pointed out that IMP could interfere with toll-like receptor 4 (TLR4) signaling. This study evaluates how IMP interferes with the TLR4 co-receptors signaling through the protein-ligand docking model, Western blotting, immunofluorescence (IF), and atomic force microscopy (AFM) assays in lipopolysaccharide (LPS) stimulated macrophage-like RAW264.7 cells in vitro. The results of the protein-ligand docking demonstrate that IMP interferes with LPS binding to the LPS-binding protein (LBP), the cluster of differentiation 14 (CD14), and the toll-like receptor 4/myeloid differentiation factor 2 (TLR4/MD-2) co-receptors in LPS-stimulated RAW264.7 cells. Compared with TLR4 antagonist CLI-095 or dexamethasone, IMP could suppress the protein expressions of LBP, CD14, and TLR4/MD-2 in LPS-stimulated cells. Furthermore, the three-dimensional (3D) image assay of the AFM showed IMP could prevent the LPS-induced morphological change in RAW264.7 cells. Additionally, IMP could activate the nuclear factor erythroid 2-related factor 2 (Nrf2) signaling pathway, and it increased the antioxidative protein expression of heme oxygenase-1 (HO-1), superoxidase dismutase (SOD), and catalase (CAT). Our results are the first to reveal that the anti-inflammatory effect of IMP interferes with LPS binding to TLR4 co-receptor signaling and activates the antioxidative Nrf2 signaling pathway.

show abstract

Section: Protein-ligand Docking Analysismentioning

confidence: 99%

Imperatorin Interferes with LPS Binding to the TLR4 Co-Receptor and Activates the Nrf2 Antioxidative Pathway in RAW264.7 Murine Macrophage Cells

et al. 2021

View full text Add to dashboard Cite

show abstract

“…Hesperidin, as a flavonoid compound, has antioxidant activity [17], and anti-inflammatory and antibacterial effects [18]. Hesperidin treatment of CIA may be through its antioxidant, anti-inflammatory, appetizer, and inhibition of IL-6 and NF-κB activities [19]. e other three main components of LJZD also have anti-inflammatory and antitumor effects [20][21][22], but no research has been found in the treatment of anorexia.…”

Section: Discussionmentioning

confidence: 99%

Multievaluation Strategy for Liujunzi Decoction: Fingerprint Characterization, Chemometrics Analysis, Network Pharmacology, and Molecular Docking

Dai

Nie

2022

Journal of Chemistry

View full text Add to dashboard Cite

Liujunzi decoction (LJZD), a traditional tonic formula for treating “qi” deficiency of the spleen and the syndrome of phlegm dampness, can be used to prevent and treat chemotherapy-induced anorexia (CIA). The chemical constituents of LJZD are rather complex; therefore, it is of great significance to establish an effective and economic quality control method to ensure the quality consistency and stability of LJZD. With one chromatographic condition, 13 common peaks detected at 203 nm were selected to establish a fingerprint similarity model and 7 chemical constituents were identified as ephedrine hydrochloride, liquiritin, hesperidin, ginsenoside Rg1, jujuboside A, 6-gingerol, and atractylenolide III. Ten batches of LJZD were divided into two groups by cluster analysis and principal component analysis (PCA), and four main components (ephedrine hydrochloride, hesperidin, ginsenoside Rg1, and jujuboside A) of LJZD were analyzed. Also, the analysis results were combined with network pharmacology and molecular docking technology to further predict how LJZD could prevent and treat CIA. We found that these four main components of LJZD spontaneously combined with four CIA targets (SRC, PIK3R1, MAPK1, and AKT1). In this study, we established the fingerprint of LJZD for the first time, and through a comprehensive multiassessment method, we also successively analyzed the fingerprint and chemometrics.

show abstract

Section: Anti-inflammatory Activitymentioning

confidence: 99%

“…Inflammation is a critical physiological reaction in our body, which, along with oxidative stress, may cause various diseases and disorders, including cancer, diabetes, stroke, cardiovascular and depression [49][50] . And pro-inflammatory cytokines including interleukin-1β (IL-1β), IL-6 and tumor necrosis factor-α (TNF-α) are often used as biomarkers of these diseases [49][50] . In addition, the transcription factor, nuclear factor-κB (NF-κB), plays an important role in inflammation, and thus is a target for the design of anti-inflammatory, anti-tumor, and pro-apoptotic drugs [49] .…”

Section: Anti-inflammatory Activitymentioning

confidence: 99%

Role of bitter contributors and bitter taste receptors: a comprehensive review of their sources, functions and future development

Zhou,

Wang,

Huang

et al. 2024

Food Science and Human Wellness

View full text Add to dashboard Cite

Bitterness, one of the 5 "basic tastes", is usually undesired by humans. However, abundant literature reported that bitter fruits and vegetables have beneficial health effects due to their bitter contributors. This review provided an updated overview of the main bitter contributors of typical bitter fruits and vegetables and their health benefits. The main bitter contributors, including phenolics, terpenoids, alkaloids, amino acids, nucleosides and purines, were summarized. The bioactivities and wide range of beneficial effects of them on anti-cancers, anti-inflammations, anti-microbes, neuroprotection, inhibiting chronic and acute injury in organs, as well as regulating behavior performance and metabolism were reported. Furthermore, not only did the bitter taste receptors (taste receptor type 2 family, T2Rs) show taste effects, but extra-oral T2Rs could also be activated by binding with bitter components, regulating physiological activities via modulating hormone secretion, immunity, metabolism, and cell proliferation. This review provided a new perspective on exploring and explaining the nutrition of bitter foods, revealing the relationship between the functions of bitter contributors from food and T2Rs. Future trends may focus on revealing the possibility of T2Rs being targets for the treatment of diseases, exploring the mechanism of T2Rs mediating the bioactivities, and making bitter foods more acceptable without getting rid of bitter contributors.

show abstract

Bioactive phenolic fraction of Citrus maxima abate lipopolysaccharide-induced sickness behaviour and anorexia in mice: In-silico molecular docking and dynamic studies of biomarkers against NF-κB

Cited by 20 publications

References 25 publications

Imperatorin Interferes with LPS Binding to the TLR4 Co-Receptor and Activates the Nrf2 Antioxidative Pathway in RAW264.7 Murine Macrophage Cells

Imperatorin Interferes with LPS Binding to the TLR4 Co-Receptor and Activates the Nrf2 Antioxidative Pathway in RAW264.7 Murine Macrophage Cells

Multievaluation Strategy for Liujunzi Decoction: Fingerprint Characterization, Chemometrics Analysis, Network Pharmacology, and Molecular Docking

Role of bitter contributors and bitter taste receptors: a comprehensive review of their sources, functions and future development

Contact Info

Product

Resources

About