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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
- Source :
- BioMed Research International, BioMed Research International, Vol 2016 (2016)
- Publication Year :
- 2016
- Publisher :
- Hindawi Limited, 2016.
-
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.
- Subjects :
- 0301 basic medicine
Article Subject
Proteome
lcsh:Medicine
Biology
Bioinformatics
Models, Biological
Molecular Docking Simulation
General Biochemistry, Genetics and Molecular Biology
03 medical and health sciences
Diabetes mellitus
Protein Interaction Mapping
medicine
Metabolome
Humans
Computer Simulation
Gene
Binding Sites
General Immunology and Microbiology
Mechanism (biology)
lcsh:R
Type 2 Diabetes Mellitus
General Medicine
Diabetic retinopathy
medicine.disease
Obesity
030104 developmental biology
Diabetes Mellitus, Type 2
Metabolic Networks and Pathways
Protein Binding
Research Article
Subjects
Details
- ISSN :
- 23146141 and 23146133
- Volume :
- 2016
- Database :
- OpenAIRE
- Journal :
- BioMed Research International
- Accession number :
- edsair.doi.dedup.....94e1f9f6d1382e9add4c3b55db05bd70