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从水果中提取的生物活性化合物的抗糖尿病活性:体外和分子对接方法

Anti-Diabetic Activity of Bioactive Compound Extracted from Fruit: In-Vitro and Molecular Docking Approaches.

作者信息

Khalid Mohammad, Alqarni Mohammed H, Alsayari Abdulrhman, Foudah Ahmed I, Aljarba Tariq M, Mukim Mohammad, Alamri Mubarak A, Abullais Shahabe Saquib, Wahab Shadma

机构信息

Department of Pharmacognosy, College of Pharmacy, Prince Sattam Bin Abdulaziz University, P.O. Box 173, Al-Kharj 11942, Saudi Arabia.

Department of Pharmacognosy, College of Pharmacy, King Khalid University, Abha 61421, Saudi Arabia.

出版信息

Plants (Basel). 2022 Feb 21;11(4):562. doi: 10.3390/plants11040562.

Abstract

is a drupaceous fruit popular for its flavour and health advantages. There is little scientific knowledge about , despite its widespread usage in traditional medicine, in the North-Eastern region of India. Inhibiting the key carbohydrate hydrolysing enzymes is one of the strategies for managing diabetes. Therefore, this study studied the antioxidant and anti-diabetic properties of different fraction fruit extract (SMFFs) from Indian geographical origin by in vitro experimental assays and docking simulation studies. The ADMET prediction for active substances was also investigated using the AdmetSAR database. Based on the binding affinity/molecular interactions between phytocompounds and target enzymes, in silico investigations were done to confirm the in vitro enzymatic inhibitory capability. β-sitosterol in EtOH-F was analysed using RP-HPLC with RP-C18 column as stationary phase and photo diode array detector. The percentage of β-sitosterol was found to be 1.21% ± 0.17% of total weight of extract (). fruit ethanolic extract had a significant inhibitory concentration of 50% against free radicals produced by ABTS (89.71 ± 2.73%) and lipid peroxidation assay (88.26 ± 2.17%) tests. Similarly, the in vitro antidiabetic test findings indicated that inhibited alpha-amylase (73.42 ± 2.01%) and alpha-glucosidase (79.23 ± 1.98%) enzymes dose-dependently. The maximum glycosylated Hb percentage inhibitory activity shown in the ethanolic fraction was (83.97 ± 2.88%) at 500 µg/mL. The glucose uptake of the ethanolic fraction by the yeast cell showed significant ( < 0.05) at 500 µg/mL when compared with metformin (91.37 ± 1.59%), whereas the other fraction did not show the uptake of glucose by the yeast cell at the same concentration. In the docking study, the main phytoconstituents of fruit, such as oleanolic acid, beta-sitosterol, and beta amyrin, show strong affinity for pancreatic α-amylase. These results imply that has α-amylase and α-glucosidase inhibitory properties and may be used as antidiabetic with antioxidant characteristics.

摘要

是一种因其风味和健康益处而广受欢迎的核果。尽管它在印度东北部地区的传统医学中广泛使用,但关于它的科学知识却很少。抑制关键的碳水化合物水解酶是控制糖尿病的策略之一。因此,本研究通过体外实验分析和对接模拟研究,对来自印度不同地理区域的果实提取物(SMFFs)的抗氧化和抗糖尿病特性进行了研究。还使用AdmetSAR数据库对活性物质进行了ADMET预测。基于植物化合物与靶酶之间的结合亲和力/分子相互作用,进行了计算机模拟研究以确认体外酶抑制能力。使用以RP-C18柱为固定相和光电二极管阵列检测器的RP-HPLC分析了乙醇提取物F中的β-谷甾醇。发现β-谷甾醇的含量占提取物总重量的1.21%±0.17%。果实乙醇提取物对ABTS产生的自由基(89.71±2.73%)和脂质过氧化试验(88.26±2.17%)具有显著的50%抑制浓度。同样,体外抗糖尿病试验结果表明,果实乙醇提取物对α-淀粉酶(73.42±2.01%)和α-葡萄糖苷酶(79.23±1.98%)具有剂量依赖性抑制作用。乙醇提取物在500μg/mL时显示出的最大糖化血红蛋白百分比抑制活性为(83.97±2.88%)。与二甲双胍(91.37±1.59%)相比,酵母细胞对乙醇提取物的葡萄糖摄取在500μg/mL时具有显著差异(P<0.05),而其他提取物在相同浓度下未显示酵母细胞对葡萄糖的摄取。在对接研究中,果实的主要植物成分,如齐墩果酸、β-谷甾醇和β-香树脂醇,对胰腺α-淀粉酶表现出很强的亲和力。这些结果表明,果实具有α-淀粉酶和α-葡萄糖苷酶抑制特性,可作为具有抗氧化特性的抗糖尿病药物。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4de3/8880729/30c5d4abd666/plants-11-00562-g001.jpg

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