Compounds Kaempferol Research Articles

Optimizing quercetin and kaempferol extraction from Moringa oleifera leaves via ultrasonic assisted extraction: Kinetic modeling and process optimization

Flavonols, such as quercetin and kaempferol, are pigments found in Moringa oleifera leaves (M. oleifera), which show potential medical values that can be extracted using various extraction methods. This study employed direct probe ultrasound-assisted extraction (UAE) to extract quercetin and kaempferol compounds from M. oleifera leaves. We used the one-factor-at-a-time (OFAT) method to investigate five operating parameters: solvent concentration, extraction temperature, extraction time, amplitude, duty of cycle, and solid-to-solvent ratio, in order to identify the most important extraction parameters. The OFAT experiment's results prompted the development of a Box-Behnken Design (BBD) for processing parameter optimization. According to the BBD results, the solvent concentration had little influence on the yields, however the extraction duration had a considerable impact on all of them. After a few runs, the measured yields acquired under predicted processing parameters matched the results that were expected. The findings showed that the highest amounts of quercetin and kaempferol were obtained when 60 % ethanol was used, the extraction process of 14 minutes, the temperature of 48 °C, and the ratio of liquid to solid (L/S) of 45:1 ml/g. The structural surface of M. oleifera leaves changed after exposure to the UAE process and maceration extraction, as revealed by scanning electron microscopy (SEM). These results imply that the UAE has the potential to extract the phenolic compound from M. oleifera leaves at optimal processing parameters with optimal yields.

Human Sensory, Taste Receptor, and Quantitation Studies on Kaempferol Glycosides Derived from Rapeseed/Canola Protein Isolates.

Beyond the key bitter compound kaempferol 3-O-(2‴-O-sinapoyl-β-d-sophoroside) previously described in the literature (1), eight further bitter and astringent-tasting kaempferol glucosides (2-9) have been identified in rapeseed protein isolates (Brassica napus L.). The bitterness and astringency of these taste-active substances have been described with taste threshold concentrations ranging from 3.3 to 531.7 and 0.3 to 66.4 μmol/L, respectively, as determined by human sensory experiments. In this study, the impact of 1 and kaempferol 3-O-β-d-glucopyranoside (8) on TAS2R-linked proton secretion by HGT-1 cells was analyzed by quantification of the intracellular proton index. mRNA levels of bitter receptors TAS2R3, 4, 5, 13, 30, 31, 39, 40, 43, 45, 46, 50 and TAS2R8 were increased after treatment with compounds 1 and 8. Using quantitative UHPLC-MS/MSMRM measurements, the concentrations of 1-9 were determined in rapeseed/canola seeds and their corresponding protein isolates. Depending on the sample material, compounds 1, 3, and 5-9 exceeded dose over threshold (DoT) factors above one for both bitterness and astringency in selected protein isolates. In addition, an increase in the key bitter compound 1 during industrial protein production (apart from enrichment) was observed, allowing the identification of the potential precursor of 1 to be kaempferol 3-O-(2‴-O-sinapoyl-β-d-sophoroside)-7-O-β-d-glucopyranoside (3). These results may contribute to the production of less bitter and astringent rapeseed protein isolates through the optimization of breeding and postharvest downstream processing.

In silico prospective analysis of the medicinal plants activity on the CagA oncoprotein from Helicobacter pylori.

Colonization with Helicobacter pylori (H. pylori) has a strong correlation with gastric cancer, and the virulence factor CagA is implicated in carcinogenesis. Studies have been conducted using medicinal plants with the aim of eliminating the pathogen; however, the possibility of blocking H. pylori-induced cell differentiation to prevent the onset and/or progression of tumors has not been addressed. This type of study is expensive and time-consuming, requiring in vitro and/or in vivo tests, which can be solved using bioinformatics. Therefore, prospective computational analyses were conducted to assess the feasibility of interaction between phenolic compounds from medicinal plants and the CagA oncoprotein. To perform a computational prospecting of the interactions between phenolic compounds from medicinal plants and the CagA oncoprotein of H. pylori. In this in silico study, the structures of the phenolic compounds (ligands) kaempferol, myricetin, quercetin, ponciretin (flavonoids), and chlorogenic acid (phenolic acid) were selected from the PubChem database. These phenolic compounds were chosen based on previous studies that suggested medicinal plants as non-drug treatments to eliminate H. pylori infection. The three-dimensional structure model of the CagA oncoprotein of H. pylori (receptor) was obtained through molecular modeling using computational tools from the I-Tasser platform, employing the threading methodology. The primary sequence of CagA was sourced from GenBank (BAK52797.1). A screening was conducted to identify binding sites in the structure of the CagA oncoprotein that could potentially interact with the ligands, utilizing the GRaSP online platform. Both the ligands and receptor were prepared for molecular docking using AutoDock Tools 4 (ADT) software, and the simulations were carried out using a combination of ADT and AutoDock Vina v.1.2.0 software. Two sets of simulations were performed: One involving the central region of CagA with phenolic compounds, and another involving the carboxy-terminus region of CagA with phenolic compounds. The receptor-ligand complexes were then analyzed using PyMol and BIOVIA Discovery Studio software. The structure model obtained for the CagA oncoprotein exhibited high quality (C-score = 0.09) and was validated using parameters from the MolProbity platform. The GRaSP online platform identified 24 residues (phenylalanine and leucine) as potential binding sites on the CagA oncoprotein. Molecular docking simulations were conducted with the three-dimensional model of the CagA oncoprotein. No complexes were observed in the simulations between the carboxy-terminus region of CagA and the phenolic compounds; however, all phenolic compounds interacted with the central region of the oncoprotein. Phenolic compounds and CagA exhibited significant affinity energy (-7.9 to -9.1 kcal/mol): CagA/kaempferol formed 28 chemical bonds, CagA/myricetin formed 18 chemical bonds, CagA/quercetin formed 16 chemical bonds, CagA/ponciretin formed 13 chemical bonds, and CagA/chlorogenic acid formed 17 chemical bonds. Although none of the phenolic compounds directly bound to the amino acid residues of the K-Xn-R-X-R membrane binding motif, all of them bound to residues, mostly positively or negatively charged, located near this region. In silico, the tested phenolic compounds formed stable complexes with CagA. Therefore, they could be tested in vitro and/or in vivo to validate the findings, and to assess interference in CagA/cellular target interactions and in the oncogenic differentiation of gastric cells.

Activity of Methanolic and Hydrolyzed Methanolic Extracts of Ricinus communis (Euphorbiaceae) and Kaempferol against Spodoptera frugiperda (Lepidoptera: Noctuidae)

Spodoptera frugiperda is the main pest of maize. One of the alternatives proposed for its control is the implementation of products of botanical origin, such as those derived from Ricinus communis. In this work, the insecticidal and insectistatic activities of methanolic and hydrolyzed methanolic extracts of the aerial parts of R. communis and kaempferol against S. frugiperda are evaluated. The methanolic extract presented a larval mortality rate of 55% and an accumulated mortality rate of 65% starting at 4000 ppm, with LC50 values of 3503 (larvae) and 2851 (accumulated); meanwhile, from a concentration of 1000 ppm, a decrease in pupa weight at 24 h of 20.5 mg was observed when compared to the control. The hydrolyzed methanolic extract presented a larval mortality and accumulated mortality rate of 60% from a concentration of 1000 ppm, and a decrease in pupa weight at 24 h of 35.31 mg was observed, when compared to the control. For the compound kaempferol 3-β-D-glucopyranoside, a larval mortality rate of 65% and an accumulated mortality rate of 80% were observed from 800 ppm, with LC50 values of 525.2 (larvae) and 335.6 ppm (accumulated); meanwhile, at 300 ppm, a decrease in pupa weight of 25.59 mg after 24 h was observed when compared to the control.

Anti-cancer Potential of Bioactive Compounds from Moringa oleifera against PARK2 in Oral Cancer protein: In silico Approach

Background: Globally, oral cancer (OC) is one of the most common cancers and it is the second highest incidence in India. Medicinal plants are well known anticancer therapeutic agents since ages and considered alternative treatment of cancer diseases. Moringa oleifera, the most crucial medicinal plant contains a vast number of potential anti-cancer bioactive compounds. Objective: The aim of the current study is to investigate the therapeutic potential of five bioactive compounds kaempferol, niazimicin, niazinin, O-ethyl-4-(alpha-l-rhamnosyloxy) benzyl carbamate and quercetin of Moringa oleifera target PARK2 against OC proliferation via in silico study. Methodology: In silico approach via ADME/ProTox-II tools and molecular docking analysis have assessed to find binding affinity between PARK2 and Moringa oleifera selected compounds. Results: Our finding revealed that Kaempferol, bioactive compounds of Moringa oleifera shows Lipinski's Five Rules and is non-toxic to the liver. Besides, it also displays higher binding affinity -7.2kcal/mol and a lower binding energy followed by five selected compounds and also from 5-Flurouracil with the PARK2 interaction. Conclusion: The study provided insight into Kaempferol's possibilities of success as drug discovery candidates in the face of PARK2-related OC regulation. Thus, future in vitro, in vivo, and clinical studies are required to corroborate our findings.

Renoprotective effects of Cermai Leaves (Phyllanthus acidus(L.) Skeels) as a candidate for antidiabetic in silico

Renal complications are a major concern in individuals with diabetes, necessitating the search for effective antidiabetic agents with renoprotective properties.Phyllanthus acidus(L.) Skeels, commonly known as Cermai leaves, have been recognized for their medicinal properties, including potential antidiabetic effects. This in silico study aimed to investigate the renoprotective effects of Phyllanthus acidus as an antidiabetic agent by targeting the insulin-like growth factor-1 (IGF-1) (PDB code 1GZR) and angiotensin-converting enzyme 2 (ACE2) (PDB code 6M0J) receptors. The prediction of phytochemical properties was made based on the five laws of Lipinski as seen from the values of absorption, distribution, and metabolism with Swiss ADME. The in-silico method was conducted with the assistance of computer devices, databases like Protein Data Bank (PDB) and PubChem, and software like PyRx and Discovery Studio. The results showed the compounds kaempferol and cafestol meet the five laws of Lipinski. The compound kaempferol has the lowest binding affinity, with a value of -5.8 kcal/mol on IGF-1 and -6.1 kcal/mol on ACE2 and cafestol, -5.6 kcal/mol on IGF-1 and -5.8 kcal/mol on ACE2. It’s compared to the native ligand value -3.9 kcal/mol on IGF-1 and -5.2 kcal/mol on ACE2. Based on the results, it is known that this compound has a high potential to be a drug candidate for renoprotective.

Potency of active compounds extract of soursop leaves (Annona muricata) as a candidate for cervical cancer drug in Silico

Cervical cancer is a cancer caused by an infection derived from the Human Papillomavirus (HPV) that proliferates in the cervical mucosa. Cervical cancer ranks among the two highest incidences experienced by women, with 23.4% and an average death rate of 13.9%. Vascular endothelial growth factor (VEGF) is an important protein that plays a role in the pathology of angiogenesis in tumor growth and metastasis. Various efforts have been made to minimize mortality from cervical cancer, but they have caused side effects. Indonesia is rich in a diversity of flora that has the potential to be used as a natural medicine, for example, soursop leaves (Annona muricata). The study aimed to predict the compound extract of soursop leaves as a candidate drug for cervical cancer based on a silico approach. The prediction of phytochemical properties is made based on the five laws of Lipinski as seen from the values of absorption, distribution, and metabolism with Swiss ADME. The in-silico method was conducted with the assistance of computer devices, databases, and software like Autodock, PyRx, PyMol, and Discovery Studio. The target proteins used are VEGFR1 (PDB: 3HNG) and VEGFR-2 (PDB: 3VHE). The results showed that kaempferol, sativene, and thiazole-2,4(3H,5H)-dione, 5-benzylideno-3-[(ethylphenylamino)methyl] meet the five laws of Lipinski. The compound kaempferol has the lowest binding affinity, with a value of -8.5 kcal/mol on VEGFR-1 and -10.2 kcal/mol on VEGFR-2. On the other side, sunitib interactions with VEGFR-1 were -10.0 kcal/mol and -9.4 kcal/mol, respectively. Based on the results, can be concluded that kaempferol has a high potential to be a drug candidate for cervical cancer.

Kaempferol: A Review of Current Evidence of Its Antiviral Potential.

Kaempferol and its derivatives are flavonoids found in various plants, and a considerable number of these have been used in various medical applications worldwide. Kaempferol and its compounds have well-known antioxidant, anti-inflammatory and antimicrobial properties among other health benefits. However, the antiviral properties of kaempferol are notable, and there is a significant number of experimental studies on this topic. Kaempferol compounds were effective against DNA viruses such as hepatitis B virus, viruses of the alphaherpesvirinae family, African swine fever virus, and pseudorabies virus; they were also effective against RNA viruses, namely feline SARS coronavirus, dengue fever virus, Japanese encephalitis virus, influenza virus, enterovirus 71, poliovirus, respiratory syncytial virus, human immunodeficiency virus, calicivirus, and chikungunya virus. On the other hand, no effectiveness against murine norovirus and hepatitis A virus could be determined. The antiviral action mechanisms of kaempferol compounds are various, such as the inhibition of viral polymerases and of viral attachment and entry into host cells. Future research should be focused on further elucidating the antiviral properties of kaempferol compounds from different plants and assessing their potential use to complement the action of antiviral drugs.

Identification of antioxidant compounds in fig leaves (Ficus carica L) fractions using LCMS-MS

The fig plant (Ficus carica L.) is one of the most popular ficus genera and is spread in tropical and sub-tropical regions throughout the world. Fig leaves have potential as antioxidants. The purpose of this study was to identify antioxidant compounds in the ethanol extract of fig leaves of the Iraqi variety. The research involved preparing extracts by maceration using 96% ethanol, 70% ethanol, and 50% ethanol, testing antioxidant activity and identifying their chemical structures using LC-MS/MS. Based on the results of the antioxidant activity test using the DPPH free radical scavenging method, it was shown that the 50% ethanol extract of fig leaves had a very strong antioxidant activity with an IC50 value of 23.36 µg/mL. The results of identification with LC-MS/MS, it is estimated that the compound that has the potential as an antioxidant in the fig leaves of the Iraqi variety is the kaempferol compound.

Compounds with Anti-Alzheimer Activity Isolated for the First Time from Melaleuca leucodendron (L.) Leaves.

To discover a drug from natural triterpenes that has no side effects and is effective in treating Alzheimer's disease. We predict that the drug will be put on the market soon and achieve success. The methanolic extract of M. leucodendron leaves was fractionated and subjected to different chromatographic techniques to isolate two new triterpene glycosides alongside five known compounds kaempferol 3, quercetin 4, quercetin3-O-β-D-glucopyranoside 5, kaempferol3- O-β-D-glucopyranoside 6 and kaempferol3-O-α-L-rhamnoside 7. The structures of compounds 1 and 2 were elucidated by spectroscopic analysis and chemical means. Two new triterpene glycosides, 21-O-α-L-rhamnopyranosyl-olean-12-ene-3-O-[α-Lrhamnopyranosyl (1-4) β-D-galactopyranosyl (1-4) β-D-glucouronopyranoside]1 and 21-O-α-Lrhamnopyranosyl- olean-12-ene-3-O-[α-L-rhamnopyranosyl (1→4) β-D-galactopyra-nosyl (1→4) β-D-galactopyranoside] 2, were isolated for the first time from 70% aqueous methanolic extract (AME) of M. leucodendron leaves. The inhibitory activities of the said compounds toward acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) were then assayed. Both compounds exhibited significant inhibitory activities toward the two enzymes, and evidence indicated that compound 2 was a more effective inhibitor than compound 1. Compounds 1 and 2 have a significant role in inhibiting the enzymes acetylcholinesterase and butyrylcholinesterase.

Cardioprotective action of Amaranthus viridis methanolic extract and its isolated compound Kaempferol through mitigating lipotoxicity, oxidative stress and inflammation in the heart.

The current study was designed to evaluate the cardio-protective efficacy of Amaranthus viridis L. methanolic extract (AVME) and kaempferol, which was isolated from AVME in isoproterenol (ISO)-induced cardiotoxicity in rats. The rats were pre-treated with AVME (250mg/kg body weight) and kaempferol (50mg/kg BW) for 30days, respectively, and then administered with ISO (20mg/100g body weight) on the 31st and 32nd days. We assessed the protective effects of AVME and kaempferol against ISO-induced cardiotoxicity, oxidative stress, and inflammation. The study revealed that supplementation with AVME and kaempferol significantly attenuated cardiac lipotoxicity by reducing cholesterol and triglyceride levels and simultaneously increasing the levels of high-density lipoproteins. In addition, AVME and kaempferol suppressed oxidative stress by enhancing the activities of superoxide dismutase, catalase, and glutathione peroxidase in the heart. Further, they ameliorated cardiac inflammation by mitigating the production of pro-inflammatory cytokines (tumor necrosis factor-alpha, interleukin-6, and interleukin-1β). Hence, the study results and histopathological analysis emphasized that AVME and kaempferol could be prospective prophylactic agents against ISO-induced cardiotoxicity and may be considered nutraceuticals in the prevention of cardiovascular disorders.

Amaranthus viridis methanolic extract and its active compound kaempferol ameliorate myocardial infarction induced by isoproterenol through decreasing oxidative stress and cell death via Nrf-2/HO-1 and MMP/Bax/Bcl-2/TLR-4 pathways in rats

Amaranthus viridis methanolic extract and its active compound kaempferol ameliorate myocardial infarction induced by isoproterenol through decreasing oxidative stress and cell death via Nrf-2/HO-1 and MMP/Bax/Bcl-2/TLR-4 pathways in rats

Cytochrome P450 3A4 suppression by epimedium and active compound kaempferol leads to synergistic anti-inflammatory effect with corticosteroid.

Introduction: Cytochrome P450 (CYP) 3A4 is a major drug metabolizing enzyme for corticosteroids (CS). Epimedium has been used for asthma and variety of inflammatory conditions with or without CS. It is unknown whether epimedium has an effect on CYP 3A4 and how it interacts with CS. We sought to determine the effects of epimedium on CYP3A4 and whether it affects the anti-inflammatory function of CS and identify the active compound responsible for this effect. Methods: The effect of epimedium on CYP3A4 activity was evaluated using the Vivid CYP high-throughput screening kit. CYP3A4 mRNA expression was determined in human hepatocyte carcinoma (HepG2) cells with or without epimedium, dexamethasone, rifampin, and ketoconazole. TNF-α levels were determined following co-culture of epimedium with dexamethasone in a murine macrophage cell line (Raw 264.7). Active compound (s) derived from epimedium were tested on IL-8 and TNF-α production with or without corticosteroid, on CYP3A4 function and binding affinity. Results: Epimedium inhibited CYP3A4 activity in a dose-dependent manner. Dexamethasone enhanced the expression of CYP3A4 mRNA, while epimedium inhibited the expression of CYP3A4 mRNA and further suppressed dexamethasone enhancement of CYP3A4 mRNA expression in HepG2 cells (p < 0.05). Epimedium and dexamethasone synergistically suppressed TNF-α production by RAW cells (p < 0.001). Eleven epimedium compounds were screened by TCMSP. Among the compounds identified and tested only kaempferol significantly inhibited IL-8 production in a dose dependent manner without any cell cytotoxicity (p < 0.01). Kaempferol in combination with dexamethasone showed complete elimination of TNF-α production (p < 0.001). Furthermore, kaempferol showed a dose dependent inhibition of CYP3A4 activity. Computer docking analysis showed that kaempferol significantly inhibited the catalytic activity of CYP3A4 with a binding affinity of -44.73kJ/mol. Discussion: Inhibition of CYP3A4 function by epimedium and its active compound kaempferol leads to enhancement of CS anti-inflammatory effect.

Bioassay Guided Isolation of Anti-Inflammatory Compounds from Bauhinia variegata L.: A Key Ingredient in Herbo-Mineral Formulation, Gandmala Kandan Ras

Medicinal herb Bauhinia variegata L. is the main ingredient in “Gandmala Kandan Ras” herbomineral medicine used in Ayurveda for the treatment of swelling, inflammation and tumors. This study aimed to isolate the anti-inflammatory compounds from the methanolic extract of aerial parts of Bauhinia variegata. Through bioassay-guided isolation, three known flavonoids, namely kaempferol, ombuin and quercetin were identified from methanolic extract of aerial parts of Bauhinia variega. The primary screening by protein denaturation method revealed a significant percentage of inhibition of protein denaturation of compounds kaempferol and quercetin. The anti-inflammatory assays against COX-1/2 enzymes showed significant anti-inflammatory activity of these two compounds, compared to the standard drug, indomethacin. Of which, quercetin as a potent non-selective inhibitor of COX1 and COX2 with minimal inhibitory concentration values of 172.05±4.29 and 220.62±9.13 nM, respectively; while kaempferol showed selective COX2 inhibition with the IC50 of 154.86±5.60 nM. The results provided evidence that supports the Ayurvedic usage of Gandmala Kandan Ras formulation in the treatment of inflammation, which was attributed to the natural active kaempferol and quercetin. The results indicated that plant Bauhinia variegata could be considered as an excellent natural source of remedial medicine for inflammation.

Identification of kaempferol as an OSX upregulator by network pharmacology-based analysis of qianggu Capsule for osteoporosis.

Osteoporosis is the most common metabolic disease of skeleton with reduced bone density and weaker bone. Qianggu Capsule as a traditional chinese medicine has been widely used to treat osteoporosis. The potential pharmacological mechanism of its active ingredient Gusuibu is not well understood. The purpose of this work is to analyze the anti-osteoporosis function of Gusuibu based on network pharmacology, and further explore the potential mechanism of Qianggu Capsule. The active compounds and their corresponding targets of Gusuibu were obtained from TCMSP, TCMID, and BATMAN-TCM databases. Potential therapeutic targets for osteoporosis were obtained through DisGeNET, TTD, GeneCards, MalaCards, CTD, and OMIM databases. The overlapping targets of Gusuibu and osteoporosis were obtained. GO and KEGG pathway enrichment analysis were performed. The “Gusuibu-active compounds-target genes-osteoporosis” network and protein-protein interaction (PPI) network were constructed, and the top hub genes were screened by using the plug-in CytoHubba. Molecular docking was used to verify the binding activity of hub genes and key compounds. We identified 21 active compounds and 140 potential therapeutic targets that may be related to Gusuibu and 10 hub genes (AKT1, IL6, JUN, TNF, MAPK3, VEGFA, EGFR, MAPK1, CASP3, PTGS2). Molecular docking analysis demonstrated that four key active small molecules in Gusuibu (including Luteolin, Naringenin, Kaempferol, and Beta-sitosterol) have excellent binding affinity to the target proteins encoded by the top 10 hub genes. Our new findings indicated that one key active compound kaempferol activated the expression of osteoblast specific transcription factor OSX through JNK kinase pathway.

Marrubium alysson L. Ameliorated Methotrexate-Induced Testicular Damage in Mice through Regulation of Apoptosis and miRNA-29a Expression: LC-MS/MS Metabolic Profiling

Despite the efficient anti-cancer capabilities of methotrexate (MTX), it may induce myelosuppression, liver dysfunction and testicular toxicity. The purpose of this investigation was to determine whether Marrubium alysson L. (M. alysson L.) methanolic extract and its polyphenol fraction could protect mouse testicles from MTX-induced damage. We also investigated the protective effects of three selected pure flavonoid components of M. alysson L. extract. Mice were divided into seven groups (n = 8): (1) normal control, (2) MTX, (3) Methanolic extract + MTX, (4) Polyphenolic fraction + MTX, (5) Kaempferol + MTX, (6) Quercetin + MTX, and (7) Rutin + MTX. Pre-treatment of mice with the methanolic extract, the polyphenolic fraction of M. alysson L. and the selected pure compounds ameliorated the testicular histopathological damage and induced a significant increase in the serum testosterone level and testicular antioxidant enzymes along with a remarkable decline in the malondialdehyde (MDA) level versus MTX alone. Significant down-regulation of nuclear factor kappa B (NF-κB), tumor necrosis factor-alpha (TNF-α), p53 and miRNA-29a testicular expression was also observed in all the protected groups. Notably, the polyphenolic fraction of M. alysson L. displayed a more pronounced decline in the testicular levels of interleukin-1β (IL-1β), interleukin-6 (IL-6) and MDA, with higher testosterone levels relative to the methanolic extract. Further improvements in the Johnsen score, histopathological results and all biochemical assays were achieved by pre-treatment with the three selected pure compounds kaempferol, quercetin and rutin. In conclusion, M. alysson L. could protect against MTX-induced testicular injury by its antioxidant, anti-inflammatory, antiapoptotic activities and through the regulation of the miRNA-29a testicular expression. The present study also included chemical profiling of M. alysson L. extract, which was accomplished by LC-ESI-TOF-MS/MS analysis. Forty compounds were provisionally assigned, comprising twenty compounds discovered in the positive mode and seventeen detected in the negative mode.

Mechanistic Investigation of Glycyrrhiza uralensis Effects against Respiratory Ailments: Application of Network Pharmacology and Molecular Docking Approaches

Background: Glycyrrhiza uralensis, also known as liquorice, is a herbal remedy that is traditionally used worldwide for treating respiratory ailments and ameliorating breathing. Objective: The objective of this systematic study was to investigate active ingredients of Glycyrrhiza uralensis and determine its mode of action in silico against severe and acute respiratory complications of respiratory ailments through network pharmacology and molecular docking studies. Methods: TCMSP database search helped retrieve the compounds of Glycyrrhiza uralensis and their protein targets, especially related to respiratory ailments. Subsequently, the protein-protein association was attained as a network by using the STITCH database. Cytoscape and its ClueGO plugin were used to study gene ontology (GO) enrichment. In addition, seven natural compounds were docked in the active site of four different molecular targets; JUN-FOS, COX2, MAPK14 and IL-6, to identify the binding mechanism of ligands under study. Results: TCMSP database search resulted in the retrieval of 280 compounds of Glycyrrhiza uralensis (including formononetin, naringenin, sitosterol, isorhamnetin, kaempferol, quercetin and Glycyrrhizin) and 135 protein targets. A careful study of targets showed that 26 prospective targets (including JUN, FOS, IL6, MAPK14 and PTGS2) related to respiratory ailments were identified. Gene ontology (GO) enrichment analysis resulted in the retrieval of 176 GO terms, which were associated with respiratory ailments. This study proposed that Glycyrrhiza uralensis acts against respiratory ailments through various proteins, such as JUN, FOS, IL6, MAPK14 and PTGS2. Docking results revealed that among all studied ligands, the flavonoid-based compounds isorhamnetin and kaempferol form stronger complexes with JUN-FOS-DNA, MAPK-14, and IL-6 proteins (Cscore=6.81, 4.27, and 4.77, respectively) and the saponin based compound glycyrrhizin (Cscore=13.07) demonstrated stronger binding affinity towards COX2 enzyme. Conclusion: Conclusively, isorhamnetin, kaempferol and glycyrrhizin in Glycyrrhiza uralensis may regulate several signaling pathways through JUN-FOS-DNA, MAPK-14, and IL-6, which might play a therapeutic role against respiratory ailments.

Potential Hepatoprotective Effect of Cheatomorpha gracilis extract against High Fat Diet (HFD)-Induced Liver Damage, and its characterization by HPLC.

The current investigation was carried out to estimate the protective effect of aqueous extract of Cheatomorpha gracilis (AEC) against High fat Diet (HFD) induced liver damage in mice. The results of the in vitro study showed that AEC have higher antioxidant capacities in the DPPH and hydroxyl radical-scavenging assays. Indeed, many phenolic compounds (gallic acid, quercetin, naringenin, apigenin, kaempferol and rutin) were identified in the AEC. In the animal studies, during 6 weeks, HFD promoted oxidative stress with a rise level of malonaldehyde (MDA), protein carbonyls (PCOs) levels and a significant decrease of the antioxidant enzyme activities such as superoxide dismutase, catalase and glutathione peroxidase. Interestingly, the treatment with AEC (250 mg/kg body weight) significantly reduced the effects of HFD disorders on some plasmatic liver biomarkers (AST, ALT and ALP) in addition to, plasmatic proteins inflammatory biomarkers (α2 and β1 decreases / β2 and γ globulins increases). It can be suggest that supplementation of MECG displays high potential to quench free radicals and attenuates high fat diet promoted liver oxidative stress and related disturbances.

Exploration of the Danggui Buxue Decoction Mechanism Regulating the Balance of ESR and AR in the TP53-AKT Signaling Pathway in the Prevention and Treatment of POF

Objective The purpose of this study was to explore the molecular mechanism of Danggui Buxue Decoction (DBD) intervening premature ovarian failure (POF). Methods The active compounds-targets network, active compounds-POF-targets network, and protein-protein interaction (PPI) network were constructed by a network pharmacology approach: Gene Ontology (GO) function and Kyoto Encyclopedia of Gene and Genome (KEGG) pathway analysis by DAVID 6.8 database. The molecular docking method was used to verify the interaction between core components of DBD and targets. Then, High-Performance Liquid Chromatography (HPLC) analysis was used to determine whether the DBD contained two key components including quercetin and kaempferol. Finally, the estrous cycle, organ index, ELISA, and western blot were used to verify that mechanism of DBD improved POF induced by cyclophosphamide (CTX) in rats. Results Based on the network database including TCMSP, Swiss Target Prediction, DisGeNET, DrugBank, OMIM, and Malacard, we built the active compounds-targets network and active compounds-POF-targets network. We found that 2 core compounds (quercetin and kaempferol) and 5 critical targets (TP53, IL6, ESR1, AKT1, and AR) play an important role in the treatment of POF with DBD. The GO and KEGG enrichment analysis showed that the common targets involved a variety of signaling pathways, including the reactive oxygen species metabolic process, release of Cytochrome C from mitochondria and apoptotic signaling pathway, p53 signaling pathway, the PI3K-Akt signaling pathway, and the estrogen signaling pathway. The molecular docking showed that quercetin, kaempferol, and 5 critical targets had good results regarding the binding energy. Chromatography showed that DBD contained quercetin and kaempferol compounds, which was consistent with the database prediction results. Based on the above results, we found that the process of DBD interfering POF is closely related to the balance of ESR and AR in TP53-AKT signaling pathway and verified animal experiments. In animal experiments, we have shown that DBD and its active compounds can effectively improve estrus cycle of POF rats, inhibit serum levels of FSH and LH, protein expression levels of Cytochrome C, BAX, p53, and IL6, and promote ovary index, uterine index, serum levels of E2 and AMH, and protein expression levels of AKT1, ESR1, AR, and BCL2. Conclusions DBD and its active components could treat POF by regulating the balance of ESR and AR in TP53-AKT signaling pathway.

The Antioxidant Effect of Colombian Berry (Vaccinium meridionale Sw.) Extracts to Prevent Lipid Oxidation during Pork Patties Shelf-Life.

A scarce amount of knowledge about the use of Colombian berry (CB) in meat products is available in the literature. This work studies the impact of the addition of CB extracts (CBE) on pork patties at three different concentrations in the range 250–750 mg/kg. CBE were characterized in terms of their polyphenolic profile and antioxidant activity [1,1-diphenyl-2-picrylhydrazyl (DPPH) radical scavenging capacity, half maximal inhibitory antioxidant concentration (IC50), 2,2′-azino-bis-3-ethylbenzothiazoline-6-sulfonic acid (ABTS), ferric reducing antioxidant power assay (FRAP) and oxygen radical absorbance capacity (ORAC) tests)]. After pork patties elaboration, instrumental and sensorial colour, as well as lipid oxidation measured as thiobarbituric acid reactive substances assay (TBARS) values, were evaluated for 10 days of refrigerated storage in a modified atmosphere (80% O2–20% CO2). The total anthocyanin composition represented 35% of the polyphenolic substances of the CBE, highlighting high contents in cyanidin derivatives. Additionally, other flavonoids (quercetin and kaempferol compounds) and phenolics acids, substances positively related to antioxidant activity, were identified and quantified. In addition, the incorporation of CBE resulted in improvements in colour and lipid stability of pork patties, especially for the highest concentration used. Our findings demonstrated that CBE could be added to pork patties without impairing their sensorial profile. Overall, our results indicate that the use of CBE as a source of natural antioxidant, natural colourant, or even as a functional ingredient could be promising, but more studies are necessary to confirm it.