Hibiscus cannabinus (Kenaf) is a potential source of bioactive constituents and natural antioxidant. The current study determined the impact of various solvents on extraction yield, recovery of polyphenol and flavonoid, antioxidant, anticancer, and antibacterial properties of Kenaf leaves and seed. The powder of leaves and seed was separately extracted with n-hexane, ethyl acetate, ethanol, and water solvent. Among them, the ethanol extract of leaves and seed showed the highest extraction yield, and their GC-MS analysis revealed a total of 55 and 14 bioactive compounds, respectively. The total polyphenols (TP) and flavonoids (TF) content were quantified by a spectrophotometric technique where water extracts displayed a noteworthy amount of TP and TF content compared to other extracts. A similar demonstration was noticed in antioxidant activity, evaluated by DPPH (2,2-diphenyl-1-picrylhydrazyl) and hydrogen peroxide scavenging capacity. In addition, cytotoxicity and anti-lung cancer activity were identified against mouse embryonic fibroblast (NIH3T3) and human lung cancer (A549) cells. All extracts of leaves and seed were observed as non-toxic to the NIH3T3 cells, but slight toxicity was expressed by n-hexane extracts at the optimum dose (1000 µg/mL) of treatment. In parallel, n-hexane and ethanol extracts (leaves and seed) exposed promising anti-lung cancer activity at the same concentration. Furthermore, antibacterial activity was assessed using disc diffusion assay, and seed extracts exhibited a significant inhibition zone against Gram-positive and Gram-negative microorganisms. Overall, Kenaf seed extracted with polar solvents was found very potent in terms of important bioactive compounds and pharmacological aspects, which can be an excellent biological matrix of natural antioxidants.
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-β-sitosterol, PPARD-β-sitosterol, and PPARG-β-sitosterol). Conclusion Our study overall suggests that the four key compounds detected in SB might ameliorate T2DM severity by activating the PPAR signaling pathway.
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.
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 theS. 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 sleepduring the open field and thiopental-induced sleeping tests, respectively. Inparallel, EaF-SF significantly (p < 0.001) and dose-dependently suppressed aceticacid and formalin-induced pain in mice. Also, a noteworthy anti-inflammatoryactivity 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 bindingaffinity (molecular docking) against the receptors of each model used. Toconclude, the S. fruticosum seed isa prospective source of health-promotingeffects that can be an excellent candidate for preventing degenerative diseases.
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