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Inhibitory effects of plant extracts and in Silico screening of the bioactive compounds against α-glucosidase
South African Journal of Botany ( IF 2.7 ) Pub Date : 2020-12-24 , DOI: 10.1016/j.sajb.2020.12.002
Noor Rahman , Ijaz Muhammad , Sahib Gul Afridi , Asifullah Khan , Gul-E. Nayab , Imtiaz Ahmad , Haroon Khan , Tarun Belwal , Hari Prasad Devkota , Luigi Milella

α-glucosidase is a primary carbohydrate digestive enzyme, present in the brush border of the small intestine that acts on the 1–4 associated α-glucose residues and could play an effective role in overall glycemic control. Barberis lyceum and Fagonia cretica extracts are traditionally being used as antidiabetic. In the present study, ethanolic and methanolic extracts of B. lyceum and F. cretica were tested against α-glucosidase. Furthermore, the isolated phytochemicals of these plants were screened computationally for the evaluation of active compounds. An in vitro assay, the Ethanol and methanol-based extracts of B. lyceum and F. cretica for α-glucosidase inhibitory potential at a concentration range of 7.81–1000 µg/ml was used. The α-glucosidase inhibitory effect of extracts was compared based on their resulting IC50 values. The result showed that the extracts showed potent inhibitory activity against alpha-glucosidase. Methanolic extract of B. lyceum with an IC50 value of 34.99 µg/ml was the most potentextract. The rest of the extracts showed moderate inhibitory activity with anIC50 value in the range of 48.17 µg/ml, to 66.53 µg/ml. The reported compounds were docked against α-glucosidase along with standard inhibitor (acarbose) to check the inhibitory potential of these compounds using computational tools. Among the 38 phytochemicals, phytic acid and sindamine showed remarkable interaction with α-glucosidase active site residues with docking score -20.0204 and -18.2239 respectively, while quercetin and palmatine-CHCl3 showed comparable docking score -14.7862 and -14.1882 respectively with the standard acarbose having docking score -15.5940 against α-glucosidase. We further validate our results in vitro by using. We concluded from the results that phytochemical extracted from medicinal plants show good potency and however in future in vivo studies are needed to cure diabetes mellitus.



中文翻译:

植物提取物的抑制作用和对α-葡萄糖苷酶生物活性化合物的计算机筛选

α-葡萄糖苷酶是一种主要的碳水化合物消化酶,存在于小肠的刷状缘,作用于1-4个相关的α-葡萄糖残基,并可能在总体血糖控制中发挥有效作用。传统上,Barberis lyceumFagonia cretica提取物被用作抗糖尿病药。在本研究中,测试了B. lyceumF. cretica的乙醇和甲醇提取物对抗α-葡萄糖苷酶的作用。此外,通过计算筛选了这些植物的分离植物化学物质,以评价活性化合物体外测定法中,的基甲醇-乙醇和提取物B.学园F. cretica对α-葡萄糖苷酶的抑制潜力在7.81–1000 µg / ml的范围内使用。根据提取物的IC 50值比较提取物的α-葡萄糖苷酶抑制作用。结果表明提取物显示出对α-葡萄糖苷酶的有效抑制活性。的甲醇提取物B.学园与IC 50的34.99微克/毫升的值是最potentextract。其余提取物对anIC 50表现出中等抑制作用值范围为48.17 µg / ml至66.53 µg / ml。将报告的化合物与标准抑制剂(阿卡波糖)一起对接α-葡萄糖苷酶,以使用计算工具检查这些化合物的抑制潜力。在38种植物化学物质中,植酸和西沙明与α-葡萄糖苷酶活性位点残基之间具有显着的相互作用,对接得分分别为-20.0204和-18.2239,而槲皮素和巴马汀-CHCl 3的对接得分分别为与标准阿卡波糖相当的-14.7862和-14.1882具有对α-葡萄糖苷酶的对接得分-15.5940。我们进一步验证我们的研究结果在体外用。我们从结果得出结论,从药用植物中提取的植物化学物质显示出良好的效价,但是在未来的体内 需要进行研究以治愈糖尿病。

更新日期:2020-12-24
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