Department of Botany, D.S.B. Campus, Kumaun University, Nainital, 263002, Uttarakhand, India.
Department of Biotechnology, Bhimtal Campus, Kumaun University, Nainital, 263136, Uttarakhand, India.
J Ethnopharmacol. 2020 Feb 10;248:112268. doi: 10.1016/j.jep.2019.112268. Epub 2019 Oct 5.
Phyllanthus emblica Linn. (Syn. Emblica officinalis Gaertn.), has been used to cure many ailments of human beings. Literature survey demonstrates that it has many pharmacological activities i.e. antidiabetic, antioxidant, anti-microbial, antifungal, antiallergic, antiviral, and anticancer properties.
The present study aimed to identify the novel plant-derived antidiabetic compounds from P. emblica to understand the molecular basis of antidiabetic activities.
Text mining analysis of P. emblica and its disease association was carried out using server DLAD4U. Due to the highest score of P. emblica with diabetes, the virtual screening of a phytochemical library of P. emblica against three targets of diabetes was carried out. After that FAF-Drug4, admetSAR and DruLiTo servers were used for drug-likeness prediction. Additionally, pharmacophore modeling was also carried out to understand the antidiabetic activity of screened compounds.
The docking scores, drug-likeness and pharmacophore studies found that Ellagic acid, Estradiol, Sesamine, Kaempferol, Zeatin, Quercetin, and Leucodelphinidin are potential antidiabetic compounds.
Our study shows that phytochemicals of P. emblica are very potential antidiabetic candidates. Using the modern techniques these molecules could be used to develop an effective antidiabetic drugs from a natural resource.
余甘子（Phyllanthus emblica Linn.）（同义词：余甘子Emblica officinalis Gaertn.）已被用于治疗人类的许多疾病。文献调查表明，它具有许多药理学活性，如抗糖尿病、抗氧化、抗微生物、抗真菌、抗过敏、抗病毒和抗癌特性。
本研究旨在从余甘子中鉴定新的植物来源的抗糖尿病化合物，以了解抗糖尿病活性的分子基础。
使用服务器 DLAD4U 对余甘子及其疾病关联进行文本挖掘分析。由于余甘子与糖尿病的相关性得分最高，因此针对糖尿病的三个靶点对余甘子的植物化学库进行虚拟筛选。之后，使用 FAF-Drug4、admetSAR 和 DruLiTo 服务器进行药物相似性预测。此外，还进行了药效团建模，以了解筛选化合物的抗糖尿病活性。
对接评分、药物相似性和药效团研究发现，鞣花酸、雌二醇、芝麻素、山奈酚、玉米素、槲皮素和白藜芦醇是潜在的抗糖尿病化合物。
我们的研究表明，余甘子的植物化学物质是非常有潜力的抗糖尿病候选物。这些分子可以通过现代技术，从天然资源中开发出有效的抗糖尿病药物。
