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1.
Life (Basel) ; 12(2)2022 Feb 13.
Artigo em Inglês | MEDLINE | ID: mdl-35207564

RESUMO

Caesalpinia sappan L. (CS) is widely used to treat diabetic complications in south-east Asia, specifically in traditional Chinese medicine. This study intends to explain the molecular mechanism of how chemical constituents of CS interrelate with different signaling pathways and receptors involved in T2DM. GC-MS was employed to identify the chemical compounds from the methanol extract of CS wood (MECSW). Lipinski's rule of five was applied, and 33 bioactive constituents have been screened from the CS extract. After that, 124 common targets and 26 compounds associated with T2DM were identified by mining several public databases. Protein-protein interactions and compound-target network were constructed using the STRING database and Cytoscape tool. Protein-protein interactions were identified in 121 interconnected nodes active in T2DM and peroxisome proliferator-activated receptor gamma (PPARG) as key target receptors. Furthermore, pathway compound target (PCT) analysis using the merger algorithm plugin of Cytoscape revealed 121 nodes from common T2DM targets, 33 nodes from MECSW compounds and 9 nodes of the KEGG pathway. Moreover, network topology analysis determined "Fisetin tetramethyl ether" as the key chemical compound. The DAVID online tool determined seven signaling receptors, among which PPARG was found most significant in T2DM progression. Gene ontology and KEGG pathway analysis implied the involvement of nine pathways, and the peroxisome proliferator-activated receptor (PPAR) pathway was selected as the hub signaling pathway. Finally, molecular docking and quantum chemistry analysis confirmed the strong binding affinity and reactive chemical nature of fisetin tetramethyl ether with target receptors exceeding that of the conventional drug (metformin), PPARs agonist (rosiglitazone) and co-crystallized ligands, indicating that fisetin could be a potential drug of choice in T2DM management. This study depicts the interrelationship of the bioactive compounds of MECSW with the T2DM-associated signaling pathways and target receptors. It also proposes a more pharmaceutically effective substance, fisetin tetramethyl ether, over the standard drug that activates PPARG protein in the PPAR signaling pathway of T2DM.

2.
Curr Issues Mol Biol ; 43(3): 1906-1936, 2021 Nov 06.
Artigo em Inglês | MEDLINE | ID: mdl-34889899

RESUMO

Corn silk (Stigma Maydis) has been utilized as an important herb against obesity by Chinese, Korean, and Native Americans, but its phytochemicals and mechanisms(s) against obesity have not been deciphered completely. This study aimed to identify promising bioactive constituents and mechanism of action(s) of corn silk (CS) against obesity via network pharmacology. The compounds from CS were identified using Gas Chromatography Mass Spectrometry (GC-MS) and were confirmed ultimately by Lipinski's rule via SwissADME. The relationships of the compound-targets or obesity-related targets were confirmed by public bioinformatics. The signaling pathways related to obesity, protein-protein interaction (PPI), and signaling pathways-targets-bioactives (STB) were constructed, visualized, and analyzed by RPackage. Lastly, Molecular Docking Test (MDT) was performed to validate affinity between ligand(s) and protein(s) on key signaling pathway(s). We identified a total of 36 compounds from CS via GC-MS, all accepted by Lipinski's rule. The number of 36 compounds linked to 154 targets, 85 among 154 targets related directly to obesity-targets (3028 targets). Of the final 85 targets, we showed that the PPI network (79 edges, 357 edges), 12 signaling pathways on a bubble chart, and STB network (67 edges, 239 edges) are considered as therapeutic components. The MDT confirmed that two key activators (ß-Amyrone, ß-Stigmasterol) bound most stably to PPARA, PPARD, PPARG, FABP3, FABP4, and NR1H3 on the PPAR signaling pathway, also, three key inhibitors (Neotocopherol, Xanthosine, and ß-Amyrone) bound most tightly to AKT1, IL6, FGF2, and PHLPP1 on the PI3K-Akt signaling pathway. Overall, we provided promising key signaling pathways, targets, and bioactives of CS against obesity, suggesting crucial pharmacological evidence for further clinical testing.


Assuntos
Extratos Vegetais/química , Extratos Vegetais/farmacologia , Zea mays/química , Fenômenos Químicos , Descoberta de Drogas , Cromatografia Gasosa-Espectrometria de Massas , Humanos , Medicina Tradicional , Modelos Moleculares , Estrutura Molecular , Obesidade/tratamento farmacológico , Relação Estrutura-Atividade
3.
Molecules ; 26(19)2021 Sep 29.
Artigo em Inglês | MEDLINE | ID: mdl-34641448

RESUMO

Cirsium japonicum var. maackii (Maxim.) Matsum. or Korean thistle flower is a herbal plant used to treat tumors in Korean folk remedies, but its essential bioactives and pharmacological mechanisms against cancer have remained unexplored. This study identified the main compounds(s) and mechanism(s) of the C. maackii flower against cancer via network pharmacology. The bioactives from the C. maackii flower were revealed by gas chromatography-mass spectrum (GC-MS), and SwissADME evaluated their physicochemical properties. Next, target(s) associated with the obtained bioactives or cancer-related targets were retrieved by public databases, and the Venn diagram selected the overlapping targets. The networks between overlapping targets and bioactives were visualized, constructed, and analyzed by RPackage. Finally, we implemented a molecular docking test (MDT) to explore key target(s) and compound(s) on AutoDockVina and LigPlot+. GC-MS detected a total of 34 bioactives and all were accepted by Lipinski's rules and therefore classified as drug-like compounds (DLCs). A total of 597 bioactive-related targets and 4245 cancer-related targets were identified from public databases. The final 51 overlapping targets were selected between the bioactive targets network and cancer-related targets. With Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment, a total of 20 signaling pathways were manifested, and a hub signaling pathway (PI3K-Akt signaling pathway), a key target (Akt1), and a key compound (Urs-12-en-24-oic acid, 3-oxo, methyl ester) were selected among the 20 signaling pathways via MDT. Overall, Urs-12-en-24-oic acid, 3-oxo, methyl ester from the C. maackii flower has potent anti-cancer efficacy by inactivating Akt1 on the PI3K-Akt signaling pathway.


Assuntos
Antineoplásicos Fitogênicos/farmacologia , Cirsium/química , Flores/química , Redes Reguladoras de Genes/efeitos dos fármacos , Neoplasias/tratamento farmacológico , Extratos Vegetais/farmacologia , Humanos , República da Coreia , Transdução de Sinais
4.
Int J Mol Sci ; 22(17)2021 Aug 29.
Artigo em Inglês | MEDLINE | ID: mdl-34502281

RESUMO

M. alba L. is a valuable nutraceutical plant rich in potential bioactive compounds with promising anti-gouty arthritis. Here, we have explored bioactives, signaling pathways, and key proteins underlying the anti-gout activity of M. alba L. leaves for the first-time utilizing network pharmacology. Bioactives in M. alba L. leaves were detected through GC-MS (Gas Chromatography-Mass Spectrum) analysis and filtered by Lipinski's rule. Target proteins connected to the filtered compounds and gout were selected from public databases. The overlapping target proteins between bioactives-interacted target proteins and gout-targeted proteins were identified using a Venn diagram. Bioactives-Proteins interactive networking for gout was analyzed to identify potential ligand-target and visualized the rich factor on the R package via the Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway on STRING. Finally, a molecular docking test (MDT) between bioactives and target proteins was analyzed via AutoDock Vina. Gene Set Enrichment Analysis (GSEA) demonstrated that mechanisms of M. alba L. leaves against gout were connected to 17 signaling pathways on 26 compounds. AKT1 (AKT Serine/Threonine Kinase 1), γ-Tocopherol, and RAS signaling pathway were selected as a hub target, a key bioactive, and a hub signaling pathway, respectively. Furthermore, three main compounds (γ-Tocopherol, 4-Dehydroxy-N-(4,5-methylenedioxy-2-nitrobenzylidene) tyramine, and Lanosterol acetate) and three key target proteins-AKT1, PRKCA, and PLA2G2A associated with the RAS signaling pathway were noted for their highest affinity on MDT. The identified three key bioactives in M. alba L. leaves might contribute to recovering gouty condition by inactivating the RAS signaling pathway.


Assuntos
Supressores da Gota/farmacologia , Morus/química , Folhas de Planta/química , Proteínas ras/metabolismo , Animais , Avaliação Pré-Clínica de Medicamentos , Cromatografia Gasosa-Espectrometria de Massas , Gota/tratamento farmacológico , Gota/metabolismo , Supressores da Gota/química , Supressores da Gota/toxicidade , Humanos , Simulação de Acoplamento Molecular , Mapas de Interação de Proteínas , Transdução de Sinais/efeitos dos fármacos , gama-Tocoferol/análise , gama-Tocoferol/farmacologia
5.
Sci Rep ; 11(1): 9606, 2021 05 05.
Artigo em Inglês | MEDLINE | ID: mdl-33953223

RESUMO

Non-steroidal anti-inflammatory drugs (NSAIDs) showed promising clinical efficacy toward COVID-19 (Coronavirus disease 2019) patients as potent painkillers and anti-inflammatory agents. However, the prospective anti-COVID-19 mechanisms of NSAIDs are not evidently exposed. Therefore, we intended to decipher the most influential NSAIDs candidate(s) and its novel mechanism(s) against COVID-19 by network pharmacology. FDA (U.S. Food & Drug Administration) approved NSAIDs (19 active drugs and one prodrug) were used for this study. Target proteins related to selected NSAIDs and COVID-19 related target proteins were identified by the Similarity Ensemble Approach, Swiss Target Prediction, and PubChem databases, respectively. Venn diagram identified overlapping target proteins between NSAIDs and COVID-19 related target proteins. The interactive networking between NSAIDs and overlapping target proteins was analyzed by STRING. RStudio plotted the bubble chart of the KEGG (Kyoto Encyclopedia of Genes and Genomes) pathway enrichment analysis of overlapping target proteins. Finally, the binding affinity of NSAIDs against target proteins was determined through molecular docking test (MDT). Geneset enrichment analysis exhibited 26 signaling pathways against COVID-19. Inhibition of proinflammatory stimuli of tissues and/or cells by inactivating the RAS signaling pathway was identified as the key anti-COVID-19 mechanism of NSAIDs. Besides, MAPK8, MAPK10, and BAD target proteins were explored as the associated target proteins of the RAS. Among twenty NSAIDs, 6MNA, Rofecoxib, and Indomethacin revealed promising binding affinity with the highest docking score against three identified target proteins, respectively. Overall, our proposed three NSAIDs (6MNA, Rofecoxib, and Indomethacin) might block the RAS by inactivating its associated target proteins, thus may alleviate excessive inflammation induced by SARS-CoV-2.


Assuntos
Anti-Inflamatórios não Esteroides/farmacologia , Antivirais/farmacologia , Avaliação Pré-Clínica de Medicamentos/métodos , Proteínas/metabolismo , SARS-CoV-2/efeitos dos fármacos , Anti-Inflamatórios não Esteroides/metabolismo , Antivirais/metabolismo , Humanos , Proteína Quinase 10 Ativada por Mitógeno/química , Proteína Quinase 10 Ativada por Mitógeno/metabolismo , Proteína Quinase 8 Ativada por Mitógeno/química , Proteína Quinase 8 Ativada por Mitógeno/metabolismo , Terapia de Alvo Molecular , Mapas de Interação de Proteínas/efeitos dos fármacos , SARS-CoV-2/metabolismo , Transdução de Sinais/efeitos dos fármacos , Proteína de Morte Celular Associada a bcl/química , Proteína de Morte Celular Associada a bcl/metabolismo , Proteínas ras/metabolismo
6.
J Ethnopharmacol ; 276: 114182, 2021 Aug 10.
Artigo em Inglês | MEDLINE | ID: mdl-33964360

RESUMO

ETHNOPHARMACOLOGICAL RELEVANCE: Ophiorrhiza rugosa var. prostrata is a traditional medicinal plant used by the indigenous and local tribes (Chakma, Marma and Tanchangya) of Bangladesh for the management of chest pain, body ache, and earache. However, the knowledge of anti-nociceptive and anti-inflammatory potentials of this plant is scarce. AIM OF THE STUDY: Therefore, we scrutinized the anti-nociceptive and anti-inflammatory properties of O. rugosa leaves along with its possible mechanism(s) of action using chemical and heat-induced pain models. METHODS AND MATERIALS: O. rugosa was extracted using 100% ethanol (EEOR) followed by exploring phytochemicals and assessing acute toxicity. To determine anti-nociceptive potentials, chemical-induced (acetic acid and formalin) and heat-induced (hot plate and tail immersion) nociceptive models were followed. To investigate the possible involvement of opioid receptors during formalin, hot plate, and tail immersion tests, naltrexone was administered whereas methylene blue and glibenclamide were used to explore cGMP involvement and ATP-sensitive K+ channel pathways, respectively. Moreover, the anti-inflammatory potential was assessed using the carrageenan-induced paw edema test model. Motor behaviours of EEOR were assessed by the open-field test. Finally, bioactive constituents (identified by GC-MS) from O. rugosa were subjected to molecular docking and ADME/t analysis to evaluate its potency and safety. RESULTS: During chemical-induced and heat-induced pain models, EEOR exhibited significant and effective nociception suppression at all experimental doses (200 and 400 mg/kg). Also, the administration of naltrexone corroborated the association of opioid receptors with the anti-nociceptive activity by EEOR. Similarly, cGMP and ATP-sensitive K+ channel pathways were also found to be involved in the anti-nociceptive mechanism. Furthermore, significant and dose-dependent inhibition of inflammation induced by carrageenan was recorded for EEOR. Both doses of EEOR did not affect the animal's locomotor capacity in the open-field test. Besides, in silico test identified the key compounds (loliolide, harman, squalene, vitamin E, and gamma-sitosterol) that inhibited some particular receptors regarding pain and inflammation. CONCLUSION: This research exposes central and peripheral pain intervention as well as anti-inflammatory activity of O. rugosa. Also, the identified compounds from this plant support its activities by effectively inhibiting anti-nociceptive and anti-inflammatory receptors. Overall, these outcomes valorize the ethnomedicinal efficacy of O. rugosa in managing various painful conditions.


Assuntos
Analgésicos/farmacologia , Anti-Inflamatórios/farmacologia , Dor/tratamento farmacológico , Dor/metabolismo , Extratos Vegetais/farmacologia , Rubiaceae/química , Ácido Acético/toxicidade , Analgésicos/química , Analgésicos/isolamento & purificação , Analgésicos/uso terapêutico , Animais , Anti-Inflamatórios/química , Anti-Inflamatórios/isolamento & purificação , Anti-Inflamatórios/uso terapêutico , Comportamento Animal/efeitos dos fármacos , Carragenina/toxicidade , Sistema Nervoso Central/efeitos dos fármacos , Modelos Animais de Doenças , Edema/induzido quimicamente , Edema/tratamento farmacológico , Feminino , Formaldeído/toxicidade , Temperatura Alta/efeitos adversos , Locomoção/efeitos dos fármacos , Masculino , Camundongos , Simulação de Acoplamento Molecular , Nociceptividade/efeitos dos fármacos , Dor/etiologia , Sistema Nervoso Periférico/efeitos dos fármacos , Extratos Vegetais/química , Extratos Vegetais/isolamento & purificação , Extratos Vegetais/uso terapêutico , Folhas de Planta/química , Receptores Opioides/efeitos dos fármacos
7.
Life (Basel) ; 11(2)2021 Feb 17.
Artigo em Inglês | MEDLINE | ID: mdl-33671381

RESUMO

Syzygium fruticosum (SF), a valuable Bangladeshi fruit, is considered an alternative therapeutic agent. Mainly, seeds are used as nutritional phytotherapy to ease physical and mental status by preventing chronic diseases. Here, we scrutinized the S. fruticosum seed's fundamental importance in traditional medicine by following an integrated approach combining in vivo, in vitro, and in silico studies. The SF was fractionated with different solvents, and the ethyl acetate fraction of SF (EaF-SF) was further studied. Mice treated with EaF-SF (200 and 400 mg/kg) manifested anxiolysis evidenced by higher exploration in elevated plus maze and hole board tests. Similarly, a dose-dependent drop of immobility time in a forced swimming test ensured significant anti-depressant activity. Moreover, higher dose treatment exposed reduced exploratory behaviour resembling decreased movement and prolonged sleeping latency with a quick onset of sleep during the open field and thiopental-induced sleeping tests, respectively. In parallel, EaF-SF significantly (p < 0.001) and dose-dependently suppressed acetic acid and formalin-induced pain in mice. Also, a noteworthy anti-inflammatory activity and a substantial (p < 0.01) clot lysis activity (thrombolytic) was observed. Gas chromatography-mass spectrometry (GC-MS) analysis resulted in 49 bioactive compounds. Among them, 12 bioactive compounds with Lipinski's rule and safety confirmation showed strong binding affinity (molecular docking) against the receptors of each model used. To conclude, the S. fruticosum seed is a prospective source of health-promoting effects that can be an excellent candidate for preventing degenerative diseases.

8.
Gene ; 768: 145320, 2021 Feb 05.
Artigo em Inglês | MEDLINE | ID: mdl-33248199

RESUMO

Phellinus linteus (mushroom) grown on Rosa multiflora (PL@RM), exposed beneficial effect and safety on Type 2 diabetes mellitus (T2DM) from Korean folk remedies. However, its active chemical constituents and mechanism(s) against T2DM have not been confirmed. Hence, we deciphered the active compounds and mechanism(s) of PL@RM against T2DM through network pharmacology. GC-MS of PL@RM manifested 54 compounds and drug-likeness properties of these compounds were confirmed by Lipinski's rule. The compound (40) related genes were composed of Similarity Ensemble Approach (SEA) and SwissTargetPrediction (STP). The overlapping genes (61) between the two databases were identified. Besides, the T2DM related genes (4,736) were extracted from DisGeNet and OMIM database. In parallel, a Venn diagram was constructed between the overlapping genes (61) and T2DM related genes (4,736), and finally, 48 genes were picked. The interactive networks between compounds and overlapping genes were plotted and visualized by RStudio. In addition, KEGG Pathway enrichment analysis was evaluated by String. String analysis showed that the mechanisms of PL@RM against T2DM were related to 16 pathways, where inhibition of gluconeogenesis by inactivating metabolic pathways was noted as the hub pathway of PL@RM against T2DM. Besides, bubble chart indicated that activation of the AMPK signaling pathway might enhance the insulin receptor (IR) phosphorylation, which is regarded the key signaling pathway of PL@RM against T2DM. Furthermore, the autodock vina revealed the promising binding affinity energy of the epicholesterol (the most drug-likeness compound) on HMGCR (hub gene). Overall, this work hints at the therapeutic evidence of PL@RM on T2DM, and this data expound the main chemical compounds and mechanisms of PL@RM against T2DM.


Assuntos
Fatores Biológicos/farmacologia , Diabetes Mellitus Tipo 2/genética , Phellinus/crescimento & desenvolvimento , Rosa/microbiologia , Proteínas Quinases Ativadas por AMP/genética , Fatores Biológicos/química , Fatores Biológicos/isolamento & purificação , Simulação por Computador , Diabetes Mellitus Tipo 2/tratamento farmacológico , Cromatografia Gasosa-Espectrometria de Massas , Regulação da Expressão Gênica/efeitos dos fármacos , Redes Reguladoras de Genes/efeitos dos fármacos , Humanos , Phellinus/química , Transdução de Sinais/efeitos dos fármacos
9.
PLoS One ; 15(12): e0240873, 2020.
Artigo em Inglês | MEDLINE | ID: mdl-33382706

RESUMO

BACKGROUND: Sorghum bicolor (SB) is rich in protective phytoconstituents with health benefits and regarded as a promising source of natural anti-diabetic substance. However, its comprehensive bioactive compound(s) and mechanism(s) against type-2 diabetes mellitus (T2DM) have not been exposed. Hence, we implemented network pharmacology to identify its key compounds and mechanism(s) against T2DM. METHODS: Compounds in SB were explored through GC-MS and screened by Lipinski's rule. Genes associated with the selected compounds or T2DM were extracted from public databases, and the overlapping genes between SB-compound related genes and T2DM target genes were identified using Venn diagram. Then, the networking between selected compounds and overlapping genes was constructed, visualized, and analyzed by RStudio. Finally, affinity between compounds and genes was evaluated via molecular docking. RESULTS: GC-MS analysis of SB detected a total of 20 compounds which were accepted by the Lipinski's rule. A total number of 16 compounds-related genes and T2DM-related genes (4,763) were identified, and 81 overlapping genes between them were selected. Gene set enrichment analysis exhibited that the mechanisms of SB against T2DM were associated with 12 signaling pathways, and the key mechanism might be to control blood glucose level by activating PPAR signaling pathway. Furthermore, the highest affinities were noted between four main compounds and six genes (FABP3-Propyleneglyco monoleate, FABP4-25-Oxo-27-norcholesterol, NR1H3-Campesterol, PPARA-ß-sitosterol, PPARD-ß-sitosterol, and PPARG-ß-sitosterol). CONCLUSION: Our study overall suggests that the four key compounds detected in SB might ameliorate T2DM severity by activating the PPAR signaling pathway.


Assuntos
Regulação da Expressão Gênica/efeitos dos fármacos , Redes Reguladoras de Genes/efeitos dos fármacos , Hipoglicemiantes/química , Compostos Fitoquímicos/química , Sorghum/química , Esteróis/química , Sítios de Ligação , Diabetes Mellitus Tipo 2/tratamento farmacológico , Diabetes Mellitus Tipo 2/genética , Diabetes Mellitus Tipo 2/metabolismo , Proteína 3 Ligante de Ácido Graxo/antagonistas & inibidores , Proteína 3 Ligante de Ácido Graxo/genética , Proteína 3 Ligante de Ácido Graxo/metabolismo , Proteínas de Ligação a Ácido Graxo/antagonistas & inibidores , Proteínas de Ligação a Ácido Graxo/genética , Proteínas de Ligação a Ácido Graxo/metabolismo , Hipoglicemiantes/isolamento & purificação , Hipoglicemiantes/farmacologia , Receptores X do Fígado/antagonistas & inibidores , Receptores X do Fígado/genética , Receptores X do Fígado/metabolismo , Simulação de Acoplamento Molecular , PPAR alfa/antagonistas & inibidores , PPAR alfa/genética , PPAR alfa/metabolismo , PPAR delta/antagonistas & inibidores , PPAR delta/genética , PPAR delta/metabolismo , PPAR gama/antagonistas & inibidores , PPAR gama/genética , PPAR gama/metabolismo , Compostos Fitoquímicos/isolamento & purificação , Compostos Fitoquímicos/farmacologia , Extratos Vegetais/química , Ligação Proteica , Conformação Proteica em alfa-Hélice , Conformação Proteica em Folha beta , Domínios e Motivos de Interação entre Proteínas , Transdução de Sinais , Esteróis/isolamento & purificação , Esteróis/farmacologia , Relação Estrutura-Atividade
10.
Biomolecules ; 10(4)2020 04 06.
Artigo em Inglês | MEDLINE | ID: mdl-32268590

RESUMO

Holigarna caustica (Dennst.), a popular plant used in folk medicine in Bangladesh, is often used by the local folk practitioner to treat a variety of chronic diseases. The present research is an attempt to find out an innovative therapeutic prospect for the management of neuropsychiatric disorders. The methanol extract of H. caustica leaves (MEHC) were utilized on various behavioral tests for assessing anxiolytic, anti-depressant, and anti-inflammatory activities. The antioxidant potentials and quantitative phytochemicals were evaluated through spectrophotometric methods. Results revealed that treatment of MEHC (200 and 400 mg/kg) significantly reduced anxiety like behaviors in mice, particularly, 400 mg/kg efficiently improved % of entries and time spent (p < 0.05) in the open arms in elevated plus maze test, whereas, superior head dipping tendency (p < 0.05) was observed in hole-board test. In contrast, mice treated with 200 mg/kg revealed better anxiolytic effect in both open field and hole-cross tests. During antidepressant evaluation, mice administrated with MEHC exhibited active behaviors (swimming and struggling) in forced swimming and tail suspension tests. In parallel, MEHC manifested a noteworthy (p < 0.001) suppression of inflammatory response induced by histamine. The MEHC also showed strong antioxidant activities in 1,1-diphenyl-2-picrylhydrazyl radical (DPPH) (IC50: 57.64 µg/mL) scavenging, H2O2 (IC50: 51.60 µg/mL) scavenging, and ferric reducing power assay. The levels of total phenol, flavonoid, flavonol, condensed tannin, and antioxidant were estimated as higher in MEHC. Moreover, 11 compounds were documented as bioactive, displayed good binding affinities to potassium channel receptor, human serotonin receptor, cyclooxygenase (COX-1 and 2), and xanthine oxidoreductase enzyme targets in molecular docking experiments. Furthermore, ADME/T and Prediction of Activity Spectra for Substances (PASS) analyses exposed their drug-likeness, nontoxic upon consumption, and likely pharmacological actions. Overall, the H. caustica is potentially bioactive as evident by in vivo, in vitro, and computational analysis. Our findings support the folkloric value of this plant, which may provide a potential source towards developing drug leads.


Assuntos
Anacardiaceae/química , Ansiolíticos/farmacologia , Anti-Inflamatórios/farmacologia , Antidepressivos/farmacologia , Simulação por Computador , Extratos Vegetais/farmacologia , Folhas de Planta/química , Animais , Descoberta de Drogas , Feminino , Locomoção/efeitos dos fármacos , Masculino , Camundongos , Estresse Oxidativo/efeitos dos fármacos
11.
Molecules ; 18(11): 14448-54, 2013 Nov 21.
Artigo em Inglês | MEDLINE | ID: mdl-24284494

RESUMO

Seed oil triacylglycerol (TAG) composition of 32 soybean varieties were determined and compared using ¹H-NMR. The contents of linolenic (Ln), linoleic (L), and oleic (O) ranged from 10.7% to 19.3%, 37.4%-50.1%, and 15.7%-34.1%, respectively. As is evident, linoleic acid was the major fatty acid of soybean oil. Compositional differences among the varieties were observed. Natural oils containing unsaturated groups have been regarded as important nutrient and cosmetic ingredients because of their various biological activities. The TAG profiles of the soy bean oils could be useful for distinguishing the origin of seeds and controlling the quality of soybean oils. To the best of our knowledge, this is the first study in which the TAG composition of various soybean oils has been analyzed using the ¹H-NMR method.


Assuntos
Glycine max/química , Espectroscopia de Ressonância Magnética/métodos , Óleos de Plantas/análise , Sementes/química , Triglicerídeos/análise
12.
Bioorg Med Chem Lett ; 20(24): 7534-6, 2010 Dec 15.
Artigo em Inglês | MEDLINE | ID: mdl-21050756

RESUMO

The tyrosinase inhibitory activity of ethanolic extract of kenaf (Hibiscus cannabinus L.) leaf was evaluated before and after subjecting it to far-infrared (FIR) irradiation. The main component of the extract was analyzed as kaempferitrin (kaempferol-3,7-O-α-dirhamnoside). Prior to FIR irradiation, no inhibitory activity of the extract was detected in a tyrosinase assay. However, after FIR irradiation for 1h at 60°C, significant tyrosinase inhibitory activity (IC(50)=3500 ppm) was observed in it. In HPLC analysis, derhamnosylation products (kaempferol, afzelin, and α-rhamnoisorobin) were detected. The inhibitory activity may be due to the existence of derhamnosylation products. This study demonstrated that FIR irradiation can be used as a convenient tool for deglycosylation of flavonoid glycoside.


Assuntos
Flavonoides/metabolismo , Hibiscus/química , Raios Infravermelhos , Monofenol Mono-Oxigenase/antagonistas & inibidores , Flavonoides/química , Quempferóis/química , Quempferóis/isolamento & purificação , Quempferóis/farmacologia , Manosídeos/química , Manosídeos/isolamento & purificação , Manosídeos/farmacologia , Monofenol Mono-Oxigenase/metabolismo , Extratos Vegetais/química , Folhas de Planta/química , Proantocianidinas/química , Proantocianidinas/isolamento & purificação , Proantocianidinas/farmacologia
13.
Int J Syst Evol Microbiol ; 57(Pt 11): 2591-2594, 2007 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-17978223

RESUMO

A micro-organism, DCY12T, comprising Gram-negative, non-motile, pale-yellow rods was isolated from soil from a ginseng field in South Korea and was investigated to determine its taxonomic status. It grew optimally at 30 degrees C and at pH 7.0, the G+C content of its DNA was 40.5 mol%, the major components of the fatty acid profile were C16:0 and C18:1 and the major ubiquinone was Q-8. A phylogenetic analysis based on the 16S rRNA gene sequence revealed that the novel isolate was most closely related to Hydrocarboniphaga effusa AP103T (89.2%), Nevskia ramosa Soe1 (88.8%) and Pseudomonas aeruginosa ATCC 10145T (83.2%). The phenotypic, physiological, metabolic and phylogenetic properties of DCY12T suggest that it represents a novel genus (class Gammaproteobacteria) and species, for which the name Solimonas soli gen. nov., sp. nov. is proposed. The type strain of Solimonas soli is DCY12T (=KCTC 12834T=LMG 24014T).


Assuntos
Gammaproteobacteria/classificação , Gammaproteobacteria/isolamento & purificação , Panax , Microbiologia do Solo , Técnicas de Tipagem Bacteriana , DNA Ribossômico/análise , Gammaproteobacteria/genética , Gammaproteobacteria/fisiologia , Genes de RNAr , Dados de Sequência Molecular , Panax/crescimento & desenvolvimento , Fenótipo , Filogenia , RNA Ribossômico 16S/genética , Análise de Sequência de DNA , Especificidade da Espécie
14.
J Ethnopharmacol ; 113(1): 62-71, 2007 Aug 15.
Artigo em Inglês | MEDLINE | ID: mdl-17604925

RESUMO

Hibiscus cannabinus L. (Malvaceae) (known as Kenaf) has long been used as a folk medicine in India and Africa for the treatment of blood and throat disorders, bilious conditions, fever and puerperium. In this study, therefore, we aimed either to demonstrate its ethnopharmacological activity by examining its macrophage function-regulating effects or to expand its therapeutic efficacy into other macrophage-mediated diseases. The total crude extract (EtOH extract) of Hibiscus cannabinus fresh leaves, prepared with 80% ethanol, significantly suppressed TNF-alpha production and the mRNA expression of interleukin (IL)-3 and IL-12 in the RAW264.7 cells, stimulated by lipopolysaccharide (LPS, 2.5 microg/ml). The secretion of inflammatory mediators (i.e., nitric oxide [NO], reactive oxygen species [ROS] and prostaglandin E(2) [PGE(2)]) was diminished by the EtOH extract. The extract induced the expression of heme oxygenase-1 (HO-1) mRNA, a potent cytoprotective molecule. The Kenaf extract suppressed both the phagocytic uptake and the expression of costimulatory molecules (CD80 and CD86) of LPS-activated RAW264.7 cells. It is interesting that Kenaf also down-regulated both the functional activation of beta1-integrin (CD29) and the LPS-induced up-regulation of the surface CD29 level. Taken together, these data suggest that Kenaf may be able to modulate macrophage-mediated responses and that some of the activities may contribute to expand its therapeutic usage.


Assuntos
Hibiscus/química , Macrófagos/efeitos dos fármacos , Extratos Vegetais/farmacologia , Animais , Regulação para Baixo , Heme Oxigenase-1/efeitos dos fármacos , Heme Oxigenase-1/metabolismo , Humanos , Mediadores da Inflamação/metabolismo , Interleucina-12/metabolismo , Interleucina-3/metabolismo , Macrófagos/metabolismo , Medicina Tradicional , Camundongos , Folhas de Planta , RNA Mensageiro , Fator de Necrose Tumoral alfa/biossíntese , Fator de Necrose Tumoral alfa/efeitos dos fármacos
15.
Int J Syst Evol Microbiol ; 57(Pt 7): 1396-1401, 2007 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-17625164

RESUMO

Two novel strains belonging to the phylum Bacteroidetes [formerly the Cytophaga-Flexibacter-Bacteroides (CFB) group], designated Gsoil 040(T) and Gsoil 052(T), were isolated from the soil of a ginseng field in Pocheon province, South Korea. A polyphasic approach was used to characterize the taxonomic position of the novel strains. Both strains were Gram-negative, aerobic, non-motile, non-spore-forming and rod-shaped. Phylogenetic analysis based on 16S rRNA gene sequences indicated that the novel isolates belong to the genus Chitinophaga but are clearly separated from the recognized species of this genus; gene sequence similarities between the novel isolates and type strains of recognized species ranged from 91.2 to 96.5 %. One exception was found; strain Gsoil 052(T) and the type strain of Chitinophaga filiformis had a gene sequence similarity of 99.6 % but had a DNA-DNA relatedness value of 38 %. Phenotypic and chemotaxonomic data (major menaquinone, MK-7; major fatty acids, iso-C(15 : 0) and C(16 : 1)omega5c; major hydroxy fatty acid, iso-C(17 : 0) 3-OH and major polyamine, homospermidine) supported the affiliation of both strains Gsoil 040(T) and Gsoil 052(T) to the genus Chitinophaga. The results of physiological and biochemical tests enabled the genotypic and phenotypic differentiation of the novel strains from the other recognized species of the genus Chitinophaga. Therefore, it is suggested that the new isolates represent two novel species, for which the names Chitinophaga ginsengisoli [corrected] sp. nov. [type strain Gsoil 040(T) (=KCTC 12654(T)=DSM 18108(T))] and Chitinophaga ginsengisoli sp. nov. [type strain Gsoil 052(T) (=KCTC 12592(T)=DSM 18017(T))] are proposed.


Assuntos
Bacteroidetes/classificação , Bacteroidetes/isolamento & purificação , Microbiologia do Solo , Aerobiose , Bacteroidetes/química , Bacteroidetes/genética , DNA Bacteriano/química , DNA Bacteriano/genética , DNA Ribossômico/química , DNA Ribossômico/genética , Ácidos Graxos/análise , Genes de RNAr , Coreia (Geográfico) , Locomoção , Microscopia Eletrônica de Transmissão , Dados de Sequência Molecular , Hibridização de Ácido Nucleico , Panax , Filogenia , Poliaminas/análise , RNA Bacteriano/genética , RNA Ribossômico 16S/genética , Análise de Sequência de DNA , Homologia de Sequência do Ácido Nucleico , Vitamina K 2/análise
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