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芭蕉芋根茎中主要化合物的鉴定及α-淀粉酶和α-葡萄糖苷酶抑制活性:体外和计算研究。

Identification of Major Compounds and α-Amylase and α-Glucosidase Inhibitory Activity of Rhizome of Musa balbisiana Colla: An in-vitro and in-silico Study.

机构信息

Department of Zoology, Bodoland University, Kokrajhar, Assam 783370,India.

出版信息

Comb Chem High Throughput Screen. 2022;25(1):139-148. doi: 10.2174/1386207323666201124144332.

Abstract

BACKGROUND

α-Amylase and α-glucosidase inhibitors are widely used to suppress postprandial glycemia in the treatment of type-2 diabetes.

OBJECTIVES

To evaluate the metallic content, phytocompounds, and α-amylase and α-glucosidase inhibitory activity of Musa balbisiana rhizome using in-vitro and in-silico methods.

MATERIALS AND METHODS

Heavy metal content was detected by AAS following standard protocol. Major phytochemicals of the plant were analyzed by GC-MS technique. Enzyme inhibition study was carried out by UV/VIS spectrophotometric methods. The drug-likeness and bio-availability properties of major compounds were carried out using computer-aided tools - SwissADME and ADMElab. Docking and visualization were performed in AutoDock vina and Discovery studio tools.

RESULTS

The study found that the fruits of M. balbisiana contain a negligible amount of toxic elements. GC-MS analysis showed five major compounds from the rhizome of M. balbisiana. Invitro enzyme assays revealed strong α-amylase and α-glucosidase inhibitory properties of the plant. All five compounds were predicted to have a drug-likeness property with high cell membrane permeability and bio-availability. The compounds were also predicted to have low to moderate toxicity properties. The Docking study showed strong binding affinities of plant compounds with α-amylase and α-glucosidase. Out of five compounds, C5 showed the best binding affinity with active pockets of α-amylase and α-glucosidase.

CONCLUSION

The in-vitro and in-silico study suggests the antihyperglycemic property of the rhizome of Musa balbisiana and a possible candidate for the therapeutic antidiabetic agent(s).

摘要

背景

α-淀粉酶和α-葡萄糖苷酶抑制剂广泛用于抑制 2 型糖尿病患者的餐后血糖。

目的

采用体外和计算方法评估 Musa balbisiana 根茎的金属含量、植物化合物以及对 α-淀粉酶和 α-葡萄糖苷酶的抑制活性。

材料与方法

采用原子吸收光谱法(AAS)按照标准方案检测重金属含量。采用 GC-MS 技术分析植物的主要植物化合物。通过紫外/可见分光光度法进行酶抑制研究。使用计算机辅助工具——SwissADME 和 ADMElab 对主要化合物的药物相似性和生物利用度特性进行研究。在 AutoDock vina 和 Discovery studio 工具中进行对接和可视化。

结果

研究发现,M. balbisiana 的果实中含有可忽略不计的有毒元素。GC-MS 分析显示,M. balbisiana 根茎中有五种主要化合物。体外酶试验表明,该植物具有很强的α-淀粉酶和α-葡萄糖苷酶抑制活性。所有五种化合物都被预测具有药物相似性,具有较高的细胞膜通透性和生物利用度。这些化合物还被预测具有低到中度的毒性特性。对接研究表明,植物化合物与α-淀粉酶和α-葡萄糖苷酶具有很强的结合亲和力。在这五种化合物中,C5 与α-淀粉酶和α-葡萄糖苷酶的活性口袋具有最佳的结合亲和力。

结论

体外和计算研究表明,Musa balbisiana 根茎具有抗高血糖特性,可能是治疗糖尿病的候选药物。

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