Network Based Approach in the Establishment of the Relationship between Type 2 Diabetes Mellitus and Its Complications at the Molecular Level Coupled with Molecular Docking Mechanism.
Network Based Approach in the Establishment of the Relationship between Type 2 Diabetes Mellitus and Its Complications at the Molecular Level Coupled with Molecular Docking Mechanism.
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DOI：
10.1155/2016/6068437
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发表时间：
2016
影响因子：
--
通讯作者：
Rampogu Lemuel M
中科院分区：
文献类型：
--
作者：
Rampogu S;Rampogu Lemuel M
糖尿病（DM）是目前威胁世界的主要代谢性疾病之一。 DM 与肥胖和糖尿病视网膜病变 (DR) 相关。在本文中，我们试图从基因水平评估这三种食物之间的关系，并进一步进行分子对接，以确定这三种疾病的通用药物。我们采用了 Phenopedia、VennViewer 和 CDOCKER 等多种软件程序来实现这一目标。我们的结果揭示了六个通常与信号通路相关并参与的基因。此外，对所选基因组中常见基因关联的评估预测所有三种食物中都存在 SIRT1。因此，我们以 SIRT1 基因产生的蛋白质 4KXQ 为目标，并采用 CDOCKER，用八种植物化学物质对其进行攻击。 C1化合物显示出最高的-CDOCKER能量和-CDOCKER相互作用能，分别为43.6905和43.3953。因此，该化合物被认为是最有潜力的先导分子。
Diabetes mellitus (DM) is one of the major metabolic disorders that is currently threatening the world. DM is seen associated with obesity and diabetic retinopathy (DR). In the present paper we tried to evaluate the relationship between the three aliments at the gene level and further performed the molecular docking to identify the common drug for all the three diseases. We have adopted several software programs such as Phenopedia, VennViewer, and CDOCKER to accomplish the objective. Our results revealed six genes that commonly associated and are involved in the signalling pathway. Furthermore, evaluation of common gene association from the selected set of genes projected the presence of SIRT1 in all the three aliments. Therefore, we targeted protein 4KXQ which was produced from the gene SIRT1 and challenged it with eight phytochemicals, adopting the CDOCKER. C1 compound has displayed highest -CDOCKER energy and -CDOCKER interaction energy of 43.6905 and 43.3953, respectively. Therefore, this compound is regarded as the most potential lead molecule.
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