利用体外和硅学方法确定乌头罗勒草中α-淀粉酶抑制剂的抗糖尿病潜力

Suraksha Vinod, Shruthy Rajesh, Shanti K.N., P. Karunakar
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引用次数: 0

摘要

2 型糖尿病(T2D)是一种慢性代谢性疾病,也是最常见的糖尿病类型,其病因是体内胰岛素分泌减少或胰岛素抵抗,导致细胞无法有效摄取葡萄糖,最终引发高血糖。二甲双胍、磺脲类药物和格列酮类药物是目前用于治疗 T2D 的商业药物。这些药物可以降低血糖水平或提高胰岛素分泌。然而,由于这些药物价格昂贵、难以买到以及使用这些药物产生的各种副作用,人们开始寻找更健康、更经济的方法来治疗这种疾病,包括使用植物提取物。本研究通过体外定性和定量抑制试验,重点介绍了罗勒(Ocimum basilicum)提取物的α-淀粉酶抑制特性。研究还重点采用分子对接和分子动力学模拟等硅学方法来确定α-淀粉酶抑制作用的强度。体外研究显示,1:20 稀释的罗勒草乙醇、甲醇和水提取物对唾液淀粉酶有很强的抑制作用。硅学分析表明,O. basilicum 中相对丰富的 Gamma Sitosterol 可能是 O. basilicum 具有这种抗糖尿病特性的植物化合物之一。因此,Gamma Sitosterol 可与体育锻炼和饮食等其他措施一起用作治疗 T2D 的潜在疗法,因为本文的研究结果虽然与人类唾液淀粉酶有关,但也可推断出与人类胰腺淀粉酶有关,因为唾液淀粉酶和胰腺淀粉酶是已知的同工酶,具有约 97% 的序列同源性。
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IDENTIFYING ANTI-DIABETIC POTENTIAL OF ALPHA-AMYLASE INHIBITORS IN OCIMUM BASILICUM USING IN VITRO AND IN SILICO APPROACHES
Type 2 Diabetes (T2D), a chronic metabolic disorder and the most common type of diabetes, is caused by reduced insulin secretion or insulin resistance in the body, leading to ineffective glucose uptake by the cells and eventually resulting in hyperglycemia. Metformin, sulfonylureas, and glitazones are the currently available commercial drugs used to treat T2D. These drugs either reduce the blood glucose level or elevate the insulin produced. However, the high cost, unavailability, and various side effects occurring from the use of these drugs have resulted in people looking for healthier and cost-effective ways to treat this disorder, including the use of plant extracts. This study highlights the alpha-amylase inhibition properties of Ocimum basilicum (basil) extracts through in vitro qualitative and quantitive inhibition assays. It also focuses on in silico approaches such as molecular docking and molecular dynamics simulation to determine the strength of the alpha-amylase inhibition. In vitro study revealed 1:20 diluted ethanolic, methanolic, and aqueous extracts of O. basilicum strongly inhibited salivary amylase. In silico analysis revealed Gamma Sitosterol, a compound present in relative abundance in O. basilicum, could be one of the phytocompounds responsible for this anti-diabetic property of O. basilicum. Thus, Gamma Sitosterol can be used as a potential therapeutic for T2D alongside other measures such as physical exercise and diet because the findings in this paper, although pertaining to human salivary amylase, can be extrapolated to human pancreatic amylase as salivary amylase and pancreatic amylase are known isoenzymes and share ~97% sequence homology.
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