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Linn. 内果皮乙醇提取物的植物化学分析、气相色谱-质谱联用分析及α-淀粉酶抑制潜力

Phytochemical Profiling, GC-MS Analysis and α-Amylase Inhibitory Potential of Ethanolic Extract of Linn. Endocarp.

作者信息

Singla Rajeev Kumar, Dubey Ashok Kumar

机构信息

Division of Biological Sciences and Engineering, Netaji Subhas University of Technology, New Delhi-110078, India.

出版信息

Endocr Metab Immune Disord Drug Targets. 2019;19(4):419-442. doi: 10.2174/1871530319666181128100206.

Abstract

BACKGROUND

Drugs with post-prandial action constitute one of the main courses of treatments for diabetes.

OBJECTIVE

In the present investigation, we have explored the α-amylase inhibitory potential of ethanolic extract of Cocos nucifera endocarp.

METHODS

DNS based assay was done to assess the α-amylase inhibition potential of ethanolic extract. Phytochemical screening and GC-MS analysis were done in order to assess the chemical profiling of extract. In silico docking studies were done using VLife MDS 4.6 software and the probable molecules, predicted after GC-MS analysis, were docked with the co-crystallized (acarbose) tracked active site and rest all cavities of porcine pancreatic α-amylase (1OSE). ADMET analysis was done using StarDrop 6.4, Derek Nexus and P450 Modules from Optibrium Ltd. and LHASA Ltd.

RESULTS

DNS based α-amylase assay indicated that the IC50 value of extract lies in the range of 63- 126 µg/ml and at higher doses, i.e. above 250 µg/ml, it has better α-amylase inhibition than the standard drug, acarbose. Phytochemical screening indicated that ethanolic extract is rich in alkaloids, tannins, flavonoids, saponins, triterpenes, glycosides, carbohydrates, terpenoids, quinones and lactones. Further, GC-MS analysis (where Similarity Index was > 90) predicted that the probable phytoconstituents present in the ethanolic extract are myristic acid, syringaldehyde, eugenol, vanillin, 2,4-di-tert-butylphenol, lauric acid, palmitic acid methyl ester and γ-sitosterol. γ-Sitosterol showed the strong affinity towards the active site which was tracked by a co-crystallized ligand along with cavity 1 and 2 while significant interactions were observed in case of co-crystallized tracked active site as well as cavity 4 of 1OSE. Ethanolic extract of C. nucifera has no hemolytic effect.

CONCLUSION

Its ability to effectively inhibit α-amylase may be attributed to the presence of the above probable molecules, which will be explored further.

摘要

背景

具有餐后作用的药物是糖尿病的主要治疗手段之一。

目的

在本研究中,我们探究了椰子内果皮乙醇提取物对α-淀粉酶的抑制潜力。

方法

采用基于DNS的测定法评估乙醇提取物对α-淀粉酶的抑制潜力。进行植物化学筛选和气相色谱-质谱联用(GC-MS)分析以评估提取物的化学特征。使用VLife MDS 4.6软件进行计算机模拟对接研究,将GC-MS分析后预测的可能分子与猪胰α-淀粉酶(1OSE)的共结晶(阿卡波糖)追踪活性位点以及其余所有腔室进行对接。使用Optibrium有限公司和LHASA有限公司的StarDrop 6.4、Derek Nexus和P450模块进行ADMET分析。

结果

基于DNS的α-淀粉酶测定表明,提取物的半数抑制浓度(IC50)值在63至126微克/毫升范围内,在较高剂量下,即高于250微克/毫升时,其对α-淀粉酶的抑制作用优于标准药物阿卡波糖。植物化学筛选表明乙醇提取物富含生物碱、单宁、黄酮类化合物、皂苷、三萜类化合物、糖苷、碳水化合物、萜类化合物、醌类和内酯。此外,GC-MS分析(相似度指数>90)预测乙醇提取物中可能存在的植物成分是肉豆蔻酸、丁香醛、丁香酚、香草醛、2,4-二叔丁基苯酚、月桂酸、棕榈酸甲酯和γ-谷甾醇。γ-谷甾醇对活性位点表现出强烈亲和力,该活性位点由共结晶配体以及腔室1和2追踪,而在1OSE的共结晶追踪活性位点以及腔室4的情况下观察到显著相互作用。椰子乙醇提取物没有溶血作用。

结论

其有效抑制α-淀粉酶的能力可能归因于上述可能存在的分子,这将进一步进行探究。

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