In-silico Exploration of Phytoconstituents of Gymnema sylvestre as Potential Glucokinase Activators and DPP-IV Inhibitors for the future Synthesis of Silver Nanoparticles for the Treatment of Type 2 Diabetes Mellitus

Q4 Pharmacology, Toxicology and Pharmaceutics
A. B. Chavan, K. Daniel, A. Patel
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Abstract

Diabetes has a large death toll worldwide, particularly as it falls into the ten leading causes of death. Type 2 diabetes mellitus (T2DM) occurs as the body becomes resistant to insulin and sugar accumulates in the blood. It has been observed that, dipeptidyl peptidase-IV (DPP-IV) inhibitors and glucokinase activators are known therapeutic agents to treat T2DM. Among the possible medicinal plants, Gymnema sylvestre (GyS) belongs to the Apocynaceae family and is traditionally used for the treatment of different diseases. This plant is also known as 'Gurmur' because it has a sugar reducing ability. GyS was known to be one of the main botanicals for the treatment of diabetes. Rendering to the studies described above, we have tried to investigate the natural DPP-IV inhibitors and potent glucokinase activators from the phytoconstituents of GyS. New drug candidates from the medicinal plant GyS have been reported as potent DPP-IV inhibitors and glucokinase activators. As a preliminary investigation, we have studied the effectiveness of phytoconstituents of GyS in T2DM through molecular docking as a proof of concept of synthesizing silver nanoparticles (for the treatment of T2DM) using extract of this plant. The present investigative research showed that diabetes mellitus has important values in the recognized compounds included in the present analysis. The nine compounds selected were evaluated on the basis of DPP-IV and glucokinase enzyme binding energy values and their drug properties. Except quercitol, all the selected compounds have exhibited very potent glucokinase activation potential than its native ligand. Gymnemasin A, lupeol, gymnemoside A, gymnemasaponin V and gymnemic acid I have shown excellent DPP-IV inhibitory potential. We are aiming to synthesis the silver nanoparticles of leaf extract of GyS for the treatment of T2DM. As a preliminary investigation, we have studied the effectiveness of phytoconstituents of GyS in T2DM through molecular docking as a proof of concept of synthesizing silver nanoparticles (for the treatment of T2DM) using extract of this plant. As a result of present investigation, it has been concluded that these compounds can be used to treat the T2DM and hence in future we will synthesize the silver nanoparticles of GyS extract for the treatment of T2DM.
在未来合成治疗2型糖尿病的银纳米粒子的计算机上探索作为潜在的葡萄糖激酶激活剂和DPP-IV抑制剂的裸子植物成分
糖尿病在全球范围内造成了大量死亡,尤其是它被列为十大主要死因之一。2型糖尿病(T2DM)发生在身体对胰岛素产生抵抗并且糖在血液中积聚时。已经观察到,二肽基肽酶IV(DPP-IV)抑制剂和葡萄糖激酶激活剂是治疗T2DM的已知治疗剂。在可能的药用植物中,裸子属夹竹桃科,传统上用于治疗不同的疾病。这种植物也被称为“Gurmur”,因为它具有降糖能力。GyS是治疗糖尿病的主要植物药之一。根据上述研究,我们试图从GyS的植物成分中研究天然DPP-IV抑制剂和强效葡萄糖激酶激活剂。来自药用植物GyS的新候选药物已被报道为有效的DPP-IV抑制剂和葡萄糖激酶激活剂。作为初步研究,我们通过分子对接研究了GyS的植物成分在T2DM中的有效性,作为使用该植物提取物合成银纳米颗粒(用于治疗T2DM)的概念证明。目前的调查研究表明,糖尿病在本分析中所包含的公认化合物中具有重要价值。根据DPP-IV和葡萄糖激酶结合能值及其药物性质对所选的9种化合物进行了评价。除槲皮素外,所有选定的化合物都表现出比其天然配体更强大的葡萄糖激酶活化潜力。Gymnemasin A、羽扇豆醇、gymnemoside A、Gymnemassion V和gymnemic acid I均显示出良好的DPP-IV抑制潜力。我们的目标是合成用于治疗T2DM的GyS叶提取物的银纳米粒子。作为初步研究,我们通过分子对接研究了GyS的植物成分在T2DM中的有效性,作为使用该植物提取物合成银纳米颗粒(用于治疗T2DM)的概念证明。根据目前的研究结果,已经得出结论,这些化合物可以用于治疗T2DM,因此在未来我们将合成用于治疗T2糖尿病的GyS提取物的银纳米颗粒。
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来源期刊
Current Enzyme Inhibition
Current Enzyme Inhibition Pharmacology, Toxicology and Pharmaceutics-Drug Discovery
CiteScore
1.30
自引率
0.00%
发文量
30
期刊介绍: Current Enzyme Inhibition aims to publish all the latest and outstanding developments in enzyme inhibition studies with regards to the mechanisms of inhibitory processes of enzymes, recognition of active sites, and the discovery of agonists and antagonists, leading to the design and development of new drugs of significant therapeutic value. Each issue contains a series of timely, in-depth reviews written by leaders in the field, covering a range of enzymes that can be exploited for drug development. Current Enzyme Inhibition is an essential journal for every pharmaceutical and medicinal chemist who wishes to have up-to-date knowledge about each and every development in the study of enzyme inhibition.
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