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同源建模和分子对接研究表明,II 型糖尿病并发症降低了 PPARγ 受体与各种配体分子的结合。

Homology modeling and molecular docking studies on Type II diabetes complications reduced PPARγ receptor with various ligand molecules.

机构信息

Computational Phytochemistry Lab, PG and Research Department of Botany and Microbiology, AVVM Sri Pushpam College (Autonomous) Poondi, Thanjavur (Dist), Tamil Nadu, India.

Computational Phytochemistry Lab, PG and Research Department of Botany and Microbiology, AVVM Sri Pushpam College (Autonomous) Poondi, Thanjavur (Dist), Tamil Nadu, India.

出版信息

Biomed Pharmacother. 2017 Aug;92:528-535. doi: 10.1016/j.biopha.2017.05.077. Epub 2017 May 30.

Abstract

Peroxisome proliferator-activated receptor gamma (PPARγ), a type II nuclear receptor present in adipose tissue, colon and macrophages. It reduces the hyperglycemia associated metabolic syndromes. Particularly, type II diabetes-related cardiovascular system risk in human beings. The fatty acid storage and glucose metabolism are regulated by PPARγ activation in human body. According to recent reports commercially available PPARγ activating drugs have been causing severe side effects. At the same time, natural products have been proved to be a promising area of drug discovery. Recently, many studies have been attempted to screen and identify a potential drug candidate to activate PPARγ. Hence, in this study we have selected some of the bio-active molecules from traditional medicinal plants. Molecular docking studies have been carried out against the target, PPARγ. We Results suggested that Punigluconin has a efficient docking score and it is found to have good binding affinities than other ligands. Hence, we concluded that Punigluconin is a better drug candidate for activation of PPARγ gene expression. Further studies are necessary to confirm their efficacy and possibly it can develop as a potential drug in future.

摘要

过氧化物酶体增殖物激活受体γ(PPARγ),一种存在于脂肪组织、结肠和巨噬细胞中的 II 型核受体。它可降低与高血糖相关的代谢综合征。特别是在人类中与 II 型糖尿病相关的心血管系统风险。脂肪酸储存和葡萄糖代谢受 PPARγ 激活的调节。根据最近的报道,市售的 PPARγ 激活药物已引起严重的副作用。同时,天然产物已被证明是药物发现的一个有前途的领域。最近,许多研究试图筛选和鉴定潜在的药物候选物来激活 PPARγ。因此,在这项研究中,我们从传统药用植物中选择了一些具有生物活性的分子。针对靶标 PPARγ 进行了分子对接研究。结果表明,紫檀芪具有高效的对接评分,并且与其他配体相比具有良好的结合亲和力。因此,我们得出结论,紫檀芪是激活 PPARγ 基因表达的更好的药物候选物。还需要进一步的研究来确认它们的疗效,并且它可能在未来开发成为一种潜在的药物。

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