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抗肥胖特性;UHPLC-QTOF-MS/MS 代谢物分析及分子对接研究.

Anti-Obesity Attributes; UHPLC-QTOF-MS/MS-Based Metabolite Profiling and Molecular Docking Insights of .

机构信息

Department of Chemistry, University of Gujrat, Gujrat 50700, Pakistan.

Institute of Industrial Biotechnology, GC University Lahore, Lahore 54000, Pakistan.

出版信息

Molecules. 2020 Oct 26;25(21):4935. doi: 10.3390/molecules25214935.

DOI:10.3390/molecules25214935
PMID:33114490
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7663631/
Abstract

The naturopathic treatment of obesity is a matter of keen interest to develop efficient natural pharmacological routes for disease management with low or negligible toxicity and side effects. For this purpose, optimized ultrasonicated hydroethanolic extracts of were evaluated for antiobesity attributes. The 2,2-diphenyl-1-picrylhydrazyl method was adopted to evaluate antioxidant potential. Porcine pancreatic lipase inhibitory assay was conducted to assess the in vitro antiobesity property. Ultra-high performance chromatography equipped with a mass spectrometer was utilized to profile the secondary metabolites in the most potent extract. The 60% ethanolic extract exhibited highest extract yield (25.05 ± 0.07%), total phenolic contents (123.42 ± 0.007 mg GAE/g DE), total flavonoid contents (55.81 ± 0.004 RE/g DE), DPPH-radical-scavenging activity (IC = 81.05 ± 0.96 µg/mL) and pancreatic lipase inhibitory properties (IC = 146.49 ± 4.24 µg/mL). The targeted metabolite fingerprinting highlighted the presence of high-value secondary metabolites. Molecular-binding energies computed by docking tool revealed the possible contribution towards pancreatic lipase inhibitory properties of secondary metabolites including myricetin, isomangiferin, icariside B4, kaempferol and luteolin derivatives when compared to the standard drug orlistat. In vivo investigations revealed a positive impact on the lipid profile and obesity biomarkers of obese mice. The study presents as a potent source of functional bioactive ingredients to impart new insights into the existing pool of knowledge of naturopathic approaches towards obesity management.

摘要

天然疗法治疗肥胖是一个备受关注的领域,旨在开发高效的天然药理学途径,用于管理疾病,同时具有低毒性和副作用。为此,优化了 的超声水醇提取物,以评估其抗肥胖特性。采用 2,2-二苯基-1-苦基肼法评估抗氧化潜力。进行猪胰腺脂肪酶抑制试验评估体外抗肥胖特性。利用配备质谱仪的超高效色谱法分析最有效提取物中的次生代谢物。60%乙醇提取物表现出最高的提取率(25.05 ± 0.07%)、总酚含量(123.42 ± 0.007 mg GAE/g DE)、总黄酮含量(55.81 ± 0.004 RE/g DE)、DPPH 自由基清除活性(IC = 81.05 ± 0.96 µg/mL)和胰腺脂肪酶抑制活性(IC = 146.49 ± 4.24 µg/mL)。靶向代谢指纹图谱突出了高价值次生代谢物的存在。对接工具计算的分子结合能表明,与标准药物奥利司他相比,次生代谢物,包括杨梅素、异芒果苷、淫羊藿苷 B4、山奈酚和木犀草素衍生物,可能对胰腺脂肪酶抑制特性有贡献。体内研究表明,它对肥胖小鼠的脂质谱和肥胖生物标志物有积极影响。该研究表明 是功能生物活性成分的有效来源,为天然疗法治疗肥胖提供了新的见解。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a70/7663631/379d2d44a108/molecules-25-04935-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a70/7663631/7eeb21393867/molecules-25-04935-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a70/7663631/9bdd904d5d61/molecules-25-04935-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a70/7663631/572e26903d9b/molecules-25-04935-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a70/7663631/379d2d44a108/molecules-25-04935-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a70/7663631/7eeb21393867/molecules-25-04935-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a70/7663631/9bdd904d5d61/molecules-25-04935-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a70/7663631/572e26903d9b/molecules-25-04935-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a70/7663631/379d2d44a108/molecules-25-04935-g004.jpg

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