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黄酮类化合物与脂肪量和肥胖相关蛋白相互作用的计算研究

Computational study on the interaction of flavonoids with fat mass and obesity associated protein.

作者信息

Alharbi Khalid Khalaf, Syed Rabbani, Khan Imran Ali

出版信息

J Environ Biol. 2015 Mar;36(2):419-24.

Abstract

Obesity is a complex metabolic disorder linked to an increased risk of the most common and severe human diseases. Several flavonoids are known to have lipolytic activity influencing lipolysis and adipogenesis in adipose cells. In the current study, the inhibitory effect of various flavonoid compounds on fat mass and obesity associated protein (FTO) was assessed. The protein structure of FTO (3LFM) was downloaded from Protein Data Bank. The inhibitory effect of flavonoids was compared with a known clinical anti obesity drug. Autodock tools were used for docking flavonoids and antiobesity drug orlistat with FTO. It was examined that flavonoid quercetin proved maximum affinity (most negative AG), while daidzein showed no affinity towards FTO. The empathy of other flavonoids was in the order of Exemestane > Kaempherol > Letrozole > Rutin. It was concluded that flavonoids (particularly quercetin) may act as an effective drug against fat mass and obesity associated protein. Anti obesity drug, orlistat was also incorporated in the studyto prove that quercetin could be a potent inhibitorfor FTO.

摘要

肥胖是一种复杂的代谢紊乱疾病,与人类最常见和最严重疾病的风险增加有关。已知几种黄酮类化合物具有脂解活性,可影响脂肪细胞中的脂肪分解和脂肪生成。在本研究中,评估了各种黄酮类化合物对脂肪量和肥胖相关蛋白(FTO)的抑制作用。FTO的蛋白质结构(3LFM)从蛋白质数据库下载。将黄酮类化合物的抑制作用与一种已知的临床抗肥胖药物进行比较。使用自动对接工具将黄酮类化合物和抗肥胖药物奥利司他与FTO进行对接。研究发现,黄酮类化合物槲皮素表现出最大亲和力(最负的AG),而大豆苷元对FTO没有亲和力。其他黄酮类化合物的亲和力顺序为依西美坦>山奈酚>来曲唑>芦丁。得出的结论是,黄酮类化合物(特别是槲皮素)可能作为一种有效的抗脂肪量和肥胖相关蛋白的药物。抗肥胖药物奥利司他也被纳入研究,以证明槲皮素可能是FTO的有效抑制剂。

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