title: 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.
abstract: 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.
authors.affiliation: Celesta Research Lab, Hyderabad, Telangana 500 076, India.
authors.forename: Shailima
authors.identifier: 0000-0002-2010-3926
authors.initials: S
authors.lastname: Rampogu
authors.affiliation: West Thames College, London TW7 4HS, UK.
authors.forename: Mary
authors.initials: M
authors.lastname: Rampogu Lemuel
mesh_terms: D001665:Binding Sites; D003198:Computer Simulation; D003924:Diabetes Mellitus, Type 2 / Q000378:metabolism*; D006801:Humans; D053858:Metabolic Networks and Pathways; D055442:Metabolome; D008954:Models, Biological; D062105:Molecular Docking Simulation / Q000379:methods*; D011485:Protein Binding; D025941:Protein Interaction Mapping / Q000379:methods*; D020543:Proteome / Q000378:metabolism*
chemical_list: D020543:Proteome