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ETHNOPHARMACOLOGICAL RELEVANCE: Thesium chinense Turcz., a traditional Chinese herbal medicine, displays good therapeutic efficiency against respiratory diseases (e.g. pneumonia, pharyngitis) in clinical applications, however, its effects on COPD and the mechanism of action are still unclear. AIM OF THE STUDY: This study aims to investigate the therapeutic effect of the ethyl acetate fraction of Thesium chinense Turcz. (TCEA) on COPD and reveal the underlying mechanism. MATERIALS AND METHODS: A cigarette smoke (CS)-induced mouse COPD model was established, and the efficacy of TCEA was evaluated using peripheral blood testing, HE and Masson staining, qRT-PCR and ELISA assays. TCEA was analyzed for chemical composition by LC-MS/MS and HPLC. Prediction of major signaling pathways and potential targets was performed by network pharmacology. The molecular mechanism of TCEA was explored by immunoblotting, immunofluorescence staining, flow cytometry, and ubiquitination assay. Finally, potential active small molecules in TCEA were identified by molecular virtual screening. RESULTS: TCEA treatment significantly inhibited the secretion of pro-inflammatory factors and attenuated pathological emphysema. The main chemical constituents of TCEA were identified as flavonoids by UPLC-MS/MS. Network pharmacology analysis enriched the Nrf2 signaling pathway closely related to oxidative stress. Our results suggested that TCEA inhibited ferroptosis by activating Nrf2/SLC7A11/GPX4 axis and inhibiting lipid metabolism-related proteins, ACSL4, ALOX5 and COX2 in vivo and in vitro. Noteworthily, the beneficial impact of TCEA on regulation of SLC7A11 and GPX4 vanished after silencing Nrf2. Moreover, Nrf2 ubiquitination was inhibited by TCEA treatment. Finally, several flavonoids modulating Nrf2 were identified by molecular virtual screening. CONCLUSIONS: TCEA significantly alleviated COPD progression by inhibiting ferroptosis primarily through activation of Nrf2/SLC7A11/GPX4 signaling. Flavonoids are the main active components that exert their effects. These findings shed light on the mechanism of action of TCEA and its potential active components, providing a feasible approach for the treatment of COPD.
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Three new compounds 1-glyceryl 9(ß), 10(α), 11(ß)-trihydroxy-12(Z)-octadecenoate, 2'S-20-O-p-hydroxyphenylpropionyloxy-20-hyd-roxyarachidic acid glycerol ester (2), 3-O-α-l-arabinopyranosyl-(1â6)-ß-d-glucopyranoside of ethyl (3S)-hydroxybutanoate (3), as well as a new natural product (4) were isolated from the fruits of Solanum virginianum L. The structures of 26 compounds were determined by comprehensive spectroscopic analyses, NMR calculation, chemical methods, and comparisons of spectroscopic data. Compounds 2 and 16 exhibited good anti-inflammatory activity in the LPS-induced RAW 264.7 inflammatory model with IC50 values of 16.75 ± 1.54 and 22.43 ± 2.01 µM, respectively.
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Ulcerative colitis (UC) is a persistent inflammatory condition affecting the bowels. Gegen Qinlian decoction (GQD) has been widely used in the therapy of gastrointestinal diseases. We investigated the protective impacts and mechanism of GQD against UC. To establish the UC model, dextran sulfate sodium (DSS) was utilized. The disease activity index (DAI), colon length and colonic pathology were assessed to examine the impacts of GQD on UC. The level of pan-lysine lactylation (Pan kla) and specific sites were detected using western blot. Then, the inflammatory factors and the oxidative stress parameters were measured via the corresponding kits, respectively. Our findings demonstrated that GQD suppressed the lactate generation and LDH activity. The western blot revealed that GQD inhibited the expression of Pan kla and specific sites of H3K18la, H3K23la, H4K8la, and H4K12la. Furthermore, the suppressive effects on inflammation and oxidative stress caused by GQD were counteracted upon the exogenous lactate. GQD suppressed the phenotypic differentiation of M1 macrophages by reducing the expression of M1 markers, which was also reversed by exogenous lactate. In conclusion, GQD effectively suppressed UC progression through histone lactylation. Our results broadened the theoretical basis for the clinical use of GQD.
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Colite Ulcerativa , Medicamentos de Ervas Chinesas , Histonas , Macrófagos , Colite Ulcerativa/metabolismo , Colite Ulcerativa/patologia , Colite Ulcerativa/tratamento farmacológico , Animais , Histonas/metabolismo , Camundongos , Macrófagos/metabolismo , Macrófagos/efeitos dos fármacos , Medicamentos de Ervas Chinesas/farmacologia , Progressão da Doença , Estresse Oxidativo/efeitos dos fármacos , Masculino , Camundongos Endogâmicos C57BL , Ativação de Macrófagos/efeitos dos fármacosRESUMO
Armed with quantum correlations, quantum sensors in a network have shown the potential to outclass their classical counterparts in distributed sensing tasks such as clock synchronization and reference frame alignment. On the other hand, this analysis was done for simple and idealized networks, whereas the correlation shared within a practical quantum network, captured by the notion of network states, is much more complex. Here, we prove a general bound that limits the performance of using quantum network states to estimate a global parameter, establishing the necessity of genuine multipartite entanglement for achieving a quantum advantage. The bound can also serve as an entanglement witness in networks and can be generalized to states generated by shallow circuits. Moreover, while our bound prohibits local network states from achieving the Heisenberg limit, we design a probabilistic protocol that, once successful, attains this ultimate limit of quantum metrology and preserves the privacy of involved parties. Our work establishes both the limitation and the possibility of quantum metrology within quantum networks.
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BACKGROUND: Pulmonary fibrosis is a chronic and advancing interstitial lung disease, and there is an urgent need for novel agents for its therapy. Physalis Calyx seu Fructus (PCF) has been utilized in traditional Chinese medicine to treat respiratory disorders with a long history, however, the therapeutic effect and mechanism of PCF against pulmonary fibrosis are still unclear. PURPOSE: To assess therapeutic efficacy and underlying mechanism of 75 % ethanol extract of PCF (PCF-EtOH) against pulmonary fibrosis, as well as to discover active constituents in PCF. METHODS: A bleomycin-stimulated mice model was established to assess potential therapy of PCF-EtOH against pulmonary fibrosis in vivo. A lipopolysaccharide-induced inflammatory model in RAW 264.7 cells and a transforming growth factor ß1-induced fibrosis model in MRC-5 cells were established to assess potential therapy and mechanisms of purified constituents in PCF-EtOH. UPLC-MS/MS analysis was adopted to ascertain the constituents of PCF-EtOH. Network pharmacology was employed to forecast targets of PCF against pulmonary fibrosis. RESULTS: PCF-EtOH ameliorated bleomycin-induced pulmonary fibrosis through repressing inflammatory response and extracellular matrix deposition. Meanwhile, PCF-EtOH inhibited Wnt/ß-catenin pathway through decreasing ß-catenin nuclear accumulation and promoting phosphorylation. Furthermore, withanolides and flavonoids were presumed to be main active compounds of PCF against pulmonary fibrosis based on the network pharmacology. Importantly, we found an extensive presence of withanolides in PCF-EtOH. Physapubescin, a typical withanolide in PCF-EtOH, inhibited the inflammatory response, extracellular matrix deposition, and Wnt/ß-catenin pathway. Notably, physapubescin demonstrated a more potent antifibrotic effect than pirfenidone, a clinically approved antifibrotic drug, in the tested model. CONCLUSION: Withanolides and flavonoids are responsible for the inhibitory effect of PCF-EtOH against pulmonary fibrosis. Withanolides may represent a class of promising therapeutic agents against pulmonary fibrosis, and an in-depth exploration is warranted to validate this proposition.
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Bleomicina , Physalis , Fibrose Pulmonar , Via de Sinalização Wnt , Animais , Fibrose Pulmonar/tratamento farmacológico , Fibrose Pulmonar/induzido quimicamente , Via de Sinalização Wnt/efeitos dos fármacos , Camundongos , Células RAW 264.7 , Physalis/química , Masculino , beta Catenina/metabolismo , Humanos , Modelos Animais de Doenças , Camundongos Endogâmicos C57BL , Extratos Vegetais/farmacologia , Frutas/química , Medicamentos de Ervas Chinesas/farmacologia , Medicamentos de Ervas Chinesas/química , Fator de Crescimento Transformador beta1/metabolismo , Farmacologia em RedeRESUMO
BACKGROUND: Thesium chinense Turcz. (Named as Bai Rui Cao in Chinese) and its preparations (e.g., Bairui Granules) have been used to treat inflammatory diseases, such as acute mastitis, lobar pneumonia, tonsillitis, coronavirus disease 2019 (COVID-19), and upper respiratory tract infection. However, the material basis, pharmacological efficiency, and safety have not been illustrated. METHODS: Anti-inflammatory activity-guided isolation of constituents has been performed using multiple column chromatography, and their structures were elucidated by NMR spectroscopy and ECD calculations. The inhibitory effects on lung inflammation and safety of the crude ethanol extract (CE), Bairui Granules (BG), and the purified active constituents were evaluated using lipopolysaccharide (LPS)-stimulated acute lung inflammation (ALI) mice model or normal mice. RESULTS: Seven new compounds (1-7) and fifty-six known compounds (8-63) were isolated from T. chinense, and fifty-four were reported from this plant for the first time. The new flavonoid glycosides 1-2, new fatty acids 4-5, new alkaloid 7 as well as the known constituents including flavonoid aglycones 8-11, lignans 46-54, alkaloids 34 and 45, coumarins 57, phenylpropionic acids 27, and simple aromatic compounds 39, 44 and 58 exhibited anti-inflammatory activity. Network pharmacology analysis indicated that anti-inflammation of T. chinense was attributed to flavonoids and alkaloids by regulating inflammation-related proteins (e.g., TNF, NF-κB, TGF-ß). Furthermore, constituents of T. chinense including kaempferol-3-O-glucorhamnoside (KN, also named as Bairuisu I, 19), astragalin (AG, Bairuisu II, 12), and kaempferol (KF, Bairuisu III, 8), as well as CE and BG could alleviate lung inflammation caused by LPS in mice by preventing neutrophils infiltration and the expression of the genes for pro-inflammatory cytokines NLRP3, caspase-1, IL-1ß, and COX-2. After a 28-day subacute toxicity test, BG at doses of 4.875 g/kg and 9.750 g/kg (equivalent to onefold and twofold the clinically recommended dose) and CE at a dose of 11.138 g/kg (equivalent to fourfold the clinical dose of BG) were found to be safe and non-toxic. CONCLUSIONS: The discovery of sixty-three constituents comprehensively illustrated the material basis of T. chinense. T. chinense and Bairui Granules could alleviate lung inflammation by regulating inflammation-related proteins and no toxicity was observed under the twofold of clinically used doses.
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We present an approach to estimate the operational distinguishability between an entangled state and any separable state directly from measuring an entanglement witness. We show that this estimation also implies bounds on a variety of other well-known entanglement quantifiers. This approach for entanglement estimation is then extended to both the measurement-device-independent scenario and the fully device-independent scenario, where we obtain nontrivial but suboptimal bounds. The procedure requires no numerical optimization and is easy to compute. It offers ways for experimenters to not only detect, but also quantify, entanglement from the standard entanglement witness procedure.
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We show that some sets of quantum observables are unique up to an isometry and have a contextuality witness that attains the same value for any initial state. We prove that these two properties make it possible to certify any of these sets by looking at the statistics of experiments with sequential measurements and using any initial state of full rank, including thermal and maximally mixed states. We prove that this "certification with any full-rank state" (CFR) is possible for any quantum system of finite dimension d≥3 and is robust and experimentally useful in dimensions 3 and 4. In addition, we prove that complete Kochen-Specker sets can be Bell self-tested if and only if they enable CFR. This establishes a fundamental connection between these two methods of certification, shows that both methods can be combined in the same experiment, and opens new possibilities for certifying quantum devices.
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ETHNOPHARMACOLOGICAL RELEVANCE: Ding-Chuan-Tang (Abbreviated as DCT) is frequently prescribed for treatment of respiratory diseases, including chronic obstructive pulmonary disease (COPD), which is characterized by coughing, wheezing, and chest tightness in traditional Chinese medicine (TCM). However, the potential mechanism of DCT has not been investigated. AIM OF STUDY: The aim of the study is to explore the efficiency of DCT in the treatment of COPD in vivo and in vitro, and to illustrate the possible mechanism against COPD. METHODS: COPD model was induced by exposure of mice to cigarette smoke (CS) for 16 weeks. Enzyme-linked immunosorbent assay (ELISA), immunofluorescence assay, Western blot, etc., were used to explore the efficiency and mechanisms of DCT. Network pharmacology analysis, including Gene Ontology (GO), Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis, etc., was performed to explore the potential targets in the treatment of DCT on COPD. RESULTS: DCT significantly alleviated pulmonary pathological changes in mouse COPD model, and inhibited inflammatory response induced by CS and LPS in vivo and in vitro. Network pharmacology analysis suggested that DCT alleviated COPD via inhibiting inflammation by regulating PI3K-AKT pathway. In cell-based models, DCT suppressed the phosphorylation of PI3K and AKT, which further regulated its downstream targets Nrf2 and NF-κB, and inhibited inflammatory response. CONCLUSIONS: DCT effectively attenuated COPD in the mouse model induced by CS. The therapeutic mechanism of DCT against COPD was closely associated with the regulation of PI3K-AKT pathway and its downstream transcription factors, Nrf2 and NF-κB.
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NF-kappa B , Doença Pulmonar Obstrutiva Crônica , Camundongos , Animais , NF-kappa B/metabolismo , Proteínas Proto-Oncogênicas c-akt/metabolismo , Fator 2 Relacionado a NF-E2/genética , Fator 2 Relacionado a NF-E2/metabolismo , Fosfatidilinositol 3-Quinases/metabolismo , Farmacologia em Rede , Doença Pulmonar Obstrutiva Crônica/tratamento farmacológico , Doença Pulmonar Obstrutiva Crônica/metabolismoRESUMO
Five new sesquiterpenoids, dictamtrinorguaianols E and F (1-2), and dictameudesmnosides F, G, and H (3-5), along with seven known sesquiterpenoids (6-12) were isolated from Dictamnus dasycarpus Turcz. The structures of all new compounds were characterized by spectroscopic methods, including UV, IR, HR-ESI-MS, and 1D and 2D NMR. The In-vitro anti-proliferative activities of all the compounds against two human cancer cell lines (SW982 and A549) were evaluated by CCK-8 assay. Compounds 1 and 4 showed medium anti-proliferative activity against SW982 cells, with IC50 values of 3.49 ± 0.10 and 6.42 ± 1.23 µM, respectively. Additionally, compounds 2, 7, and 8 exhibited medium anti-proliferative activity against A549 cells, with IC50 values ranging from 0.80 ± 0.05 to 6.60 ± 0.46 µM.
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Dictamnus , Sesquiterpenos , Humanos , Dictamnus/química , Estrutura Molecular , Linhagem Celular , Espectroscopia de Ressonância Magnética , Sesquiterpenos/farmacologiaRESUMO
Two new compounds (1 and 2), along with thirty-one known compounds (3-33) were isolated from the fruits of Solanum xanthocarpum. The structure of isolates was elucidated by analysis of spectroscopic data and the physicochemical methods. Meanwhile, the anti-inflammatory activity of isolates was determined using LPS-induced RAW 264.7 cells. The results of anti-inflammatory assays indicated that most isolated compounds (3, 4, 6, 8-14, 17-20, and 30) possessed significant nitric oxide (NO) production inhibition in lipopolysaccharide (LPS)-induced RAW 264.7 cells with IC50 values ranging from 14.33 to 48.55 µM.
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Solanum , Solanum/química , Frutas/química , Lipopolissacarídeos/farmacologia , Extratos Vegetais/química , Fenóis/farmacologia , Fenóis/análise , Anti-Inflamatórios/químicaRESUMO
Eleven compounds were isolated and identified from ethanolic extracts of Solanum virginianum fruits, including two new compounds (1-2) and nine known compounds (3-11). Their structures were determined to be melongenaterpene C15-O-ß-D-glucopyranoside (1), (9Z)-3,7,11,15-tetramethyl -hexadeca-1,6,10-triene-3,5,14,15-tetraol-5-O-ß-D-glucopyranoside (2), actini-dioionoside A (3), byzantionoside B (4), citroside A (5), 7Z-roseoside (6), matenoside A (7), megastigmane (8), dihydrophaseic acid 3'-O-ß-D-glucopyranoside (9), taraxerol (10), and huzhangoside C (11). In this paper, NMR spectroscopy was used to study the structures of the compounds, comparing their data with those in the literature. In addition, the potential anti-inflammatory activity of the compounds was also evaluated using the RAW264.7 cell inflammation model induced by lipopolysaccharide (LPS). The terpenoids showed no significant anti-inflammatory activity.
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Frutas , Solanum , Frutas/química , Terpenos/farmacologia , Extratos Vegetais/química , Anti-Inflamatórios/farmacologiaRESUMO
The Suntuan mining area of Huaibei is a typical coal resource mining base in the Huainan-Huaibei areas in North China. Previous environmental studies related to surface dust in coal mining areas mainly focused on heavy metals and water-soluble ions, with little research on polycyclic aromatic compounds (PACs). In this study, gas chromatography-triple tandem quadrupole mass spectrometry (GC-MS/MS) was used to determine the contents of 16 parent polycyclic aromatic hydrocarbons (16PAHs), alkyl polycyclic aromatic hydrocarbons (aPAHs), and some oxygenated polycyclic aromatic hydrocarbons (OPAHs) in surface dust from the Suntuan mining area and surrounding environment. The results showed that the ΣPACs concentration range of surface dust in the Suntuan mining area was 283.8-36852.5 µg·kg-1 (mean:4114.2 µg·kg-1). ΣaPAHs (mean:2593.8 µg·kg-1) was 2.4 times higher than Σ16PAHs (mean:1074.9 µg·kg-1), which was the main contributor to PAC pollution. The composition of 16PAHs and aPAHs in surface dust was dominated by low molecular polycyclic aromatic hydrocarbons. The average OPAH content was 445.6 µg·kg-1. At the same time, PAC pollution was mainly concentrated around the mining area and near the road of a coal gangue landfill. Based on the positive matrix factor (PMF) analysis, it was inferred that the study area was mainly affected by petroleum sources, followed by coal and biomass combustion, and traffic sources and petroleum product leakage accounted for a relatively small proportion. Based on the ratio and distribution pattern of 16PAHs and aPAHs, it was inferred that when Σ16PAHs/ΣPACs<0.25, it was mainly polluted by the coal mining area. The results of PMF combined with lifetime carcinogenic risk (ILCR) showed that there were potential carcinogenic risks for children near the study area, mainly from coal and biomass burning and coal mining. There are many coal mining areas in Huaihe River Basin in China. The results of this study can provide reference for pollution prevention and control of PACs in these coal mining areas.
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OBJECTIVE: In this study, we investigated the impact of Zibai ointment on wound healing by analyzing the expression levels of two key apoptosis-related factors-B-cell lymphoma 2 (Bcl-2) and Bcl-2-associated X protein (Bax), in patients following surgery for anal fistula. METHODS: We included 90 patients with anal fistulas who were treated in the People's Hospital Affiliated to Fujian University of Traditional Chinese Medicine. Patients were randomly assigned to receive treatment with Zibai ointment (n = 45) or petroleum jelly (n = 45). The levels of apoptosis-related factors Bcl-2 and Bax were evaluated using enzyme-linked immunosorbent assay (ELISA), while cell apoptosis was assessed using Terminal deoxynucleotidyl transferase (TdT) dUTP Nick-End Labeling (TUNEL) assay. RESULTS: The results of ELISA showed that on Day 21 after the surgery, the levels of Bcl-2 and Bax in the Zibai ointment group were significantly different compared to the petroleum jelly group, with values of (60.11 ± 1.31) ng/mL and (7.05 ± 0.01) versus (83.79 ± 1.74) ng/mL and (6.00 ± 0.05) ng/mL, respectively (p < .05). Furthermore, light microscopy revealed a large number of apoptotic cells within the field of vision 14 days postsurgery in the Zibai ointment group, and the healing time in the Zibai ointment group was significantly different from that in the petroleum jelly group (p < .05). CONCLUSION: We found that Zibai ointment effectively promoted wound healing in patients following anal fistula surgery, possibly by regulating Bcl-2 and Bax apoptosis-related factors.
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Apoptose , Medicamentos de Ervas Chinesas , Fístula Retal , Cicatrização , Humanos , Proteína X Associada a bcl-2 , Pomadas , Vaselina , Fístula Retal/cirurgia , Medicamentos de Ervas Chinesas/uso terapêuticoRESUMO
Contextuality is a distinctive feature of quantum theory and a fundamental resource for quantum computation. However, existing examples of contextuality in high-dimensional systems lack the necessary robustness required in experiments. Here, we address this problem by identifying a family of noncontextuality inequalities whose maximum quantum violation grows with the dimension of the system. At first glance, this contextuality is the single-system version of multipartite Bell nonlocality taken to an extreme form. What is interesting is that the single-system version achieves the same degree of contextuality but uses a Hilbert space of lower dimension. That is, contextuality "concentrates" as the degree of contextuality per dimension increases. We show the practicality of this result by presenting an experimental test of contextuality in a seven-dimensional system. By simulating sequences of quantum ideal measurements with destructive measurements and repreparation in an all-optical setup, we report a violation of 68.7 standard deviations of the simplest case of the noncontextuality inequalities identified. Our results advance the investigation of high-dimensional contextuality, its connection to the Clifford algebra, and its role in quantum computation.
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Despite the conceptual importance of contextuality in quantum mechanics, there is a hitherto limited number of applications requiring contextuality but not entanglement. Here, we show that for any quantum state and observables of sufficiently small dimensions producing contextuality, there exists a communication task with quantum advantage. Conversely, any quantum advantage in this task admits a proof of contextuality whenever an additional condition holds. We further show that given any set of observables allowing for quantum state-independent contextuality, there exists a class of communication tasks wherein the difference between classical and quantum communication complexities increases as the number of inputs grows. Finally, we show how to convert each of these communication tasks into a semi-device-independent protocol for quantum key distribution.
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Eight undescribed steroidal saponins named solasaponins A-H were isolated from the fruits of Solanum xanthocarpum, including an unusual 16,26-epoxy-furostanol saponin, two furostanol saponins, three isospirostanol saponins, two pseudo-spirostanol saponins. The structures of all compounds were elucidated by extensive spectroscopic data analyses (1D, 2D NMR, and HRESIMS) combined with physico-chemical analysis methods (acid hydrolysis, optical rotation, and IR). The cytotoxicities of all compounds in vitro against two human cancer cell lines (A-549 and HepG2) were evaluated by CCK-8 assay.
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Antineoplásicos , Saponinas , Solanum , Frutas , Saponinas/química , Saponinas/farmacologiaRESUMO
Quantum networks are promising tools for the implementation of long-range quantum communication. The characterization of quantum correlations in networks and their usefulness for information processing is therefore central for the progress of the field, but so far only results for small basic network structures or pure quantum states are known. Here we show that symmetries provide a versatile tool for the analysis of correlations in quantum networks. We provide an analytical approach to characterize correlations in large network structures with arbitrary topologies. As examples, we show that entangled quantum states with a bosonic or fermionic symmetry can not be generated in networks; moreover, cluster and graph states are not accessible. Our methods can be used to design certification methods for the functionality of specific links in a network and have implications for the design of future network structures.
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Bioactive lipids widely found in daily consumed plants and animals are essential or beneficial to health and some of them are important physiological regulators in the human body. In our current investigation, 18 bioactive lipids (1-18), including 8 sphingolipids (1-8), 7 oxylipins (9-15), 3 phenolic lipids (16-18) were isolated from the fruits of Solanum xanthocarpum. And compounds 1, 9, 15, 16, and 18 were new lipids. In this study, homologues (4-8, 16, and 17) and configuration isomers (2 and 3) of bioactive lipids were separated, and NMR combined with MS/MS2 was an effective method to identify these compounds. These findings provided the reference for the separation and structural identification of bioactive lipids. The anti-inflammatory activities of all isolated lipids were evaluated by their inhibition of the NO release of LPS-induced RAW 264.7 cells. Aglycone components of sphingolipids, oxylipids with free carboxylic acid groups, phenylpropionic acid-fatty acid glyceride polymer exhibited significant anti-inflammatory activities. Further analysis by molecular docking revealed the interactions of bioactive compounds with the iNOS protein.
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Anti-Inflamatórios/farmacologia , Frutas/química , Lipídeos/farmacologia , Compostos Fitoquímicos/farmacologia , Solanum/química , Animais , Anti-Inflamatórios/química , Cromatografia Gasosa-Espectrometria de Massas , Hidrólise , Concentração Inibidora 50 , Lipídeos/química , Espectroscopia de Ressonância Magnética , Camundongos , Simulação de Acoplamento Molecular , Estrutura Molecular , Oxilipinas/química , Oxilipinas/farmacologia , Fenóis/química , Fenóis/farmacologia , Compostos Fitoquímicos/química , Células RAW 264.7 , Esfingolipídeos/química , Esfingolipídeos/farmacologia , Espectrometria de Massas em TandemRESUMO
Two new ecdysteroids 14-epi-polypodine B (1) and 22-oxo-hydroxyecdysterone (2), along with nine known compounds, polypodine B (3), viticosterone E (4), 20-hdroxyecdysone-2-acetate (5), 22-oxo-20-hydroxyecdysone (6), 5-hydroxyecdysone (7), pinnatasterone (8), 3-epi-20-hydroxyecdysone (9), ecdysterone (10) and stachysterone B (11), were isolated from the aerial parts of Paris verticillata. The structures of all compounds were elucidated by extensive spectroscopic analysis, quantum chemical calculations and ANN-PRA/DP4+ probability analysis. Among them, the absolute configuration of compound 1 and 2 was unambiguous determined by ECD. Also, the isolated compounds were assessed for their cytotoxic activities. Compounds 2, 3 and 7 exhibited significant cytotoxic activities against PC12, LN299 and SMCC7721 cells.