ArticleBioMed research international2016
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.
Article in BioMed research international, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 21 papers.
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21 citing papers in PubMed, 47 citations in OpenAlex.
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- First report on exploration of structural features of natural compounds (NPACT database) for anti-breast cancer activity (MCF-7): QSAR-based virtual screening, molecular docking, ADMET, MD simulation, and DFT studies.In silico pharmacology · 2024Article
- Anti-inflammatory or anti-SARS-CoV-2 ingredients in Huashi Baidu Decoction and their corresponding targets: Target screening and molecular docking study.Arabian journal of chemistry · 2023Article
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- Whole body vibration remodels skeletal muscle via autophagy and energy metabolism in diabetic mice.Molecular medicine reports · 2022Article
- Identification of New KRAS G12D Inhibitors through Computer-Aided Drug Discovery Methods.International journal of molecular sciences · 2022Article
- A Rapid Assessment Model for Liver Toxicity of Macrolides and an Integrative Evaluation for Azithromycin Impurities.Frontiers in pharmacology · 2022Article
- Gossypol acetate: A natural polyphenol derivative with antimicrobial activities against the essential cell division protein FtsZ.Frontiers in microbiology · 2022Article
- Computational guided identification of a citrus flavonoid as potential inhibitor of SARS-CoV-2 main protease.Molecular diversity · 2021Article
- Construction of Fluorescent Immunosensor Quenchbody to Detect His-Tagged Recombinant Proteins Produced in Bioprocess.Sensors (Basel, Switzerland) · 2021Article
- Computational Approaches to Discover Novel Natural Compounds for SARS-CoV-2 Therapeutics.ChemistryOpen · 2021Article
- Improved Antiglioblastoma Activity and BBB Permeability by Conjugation of Paclitaxel to a Cell-Penetrative MMP-2-Cleavable Peptide.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2021Article
- A Deep Learning-Based Approach for Identifying the Medicinal Uses of Plant-Derived Natural Compounds.Frontiers in pharmacology · 2020Article
- Novel ACE inhibitory tripeptides from ovotransferrin using bioinformatics and peptidomics approaches.Scientific reports · 2019Article
- Discovery of Non-Peptidic Compounds against Chagas Disease Applying Pharmacophore Guided Molecular Modelling Approaches.Molecules (Basel, Switzerland) · 2018Article
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- Ginger (Zingiber officinale) phytochemicals-gingerenone-A and shogaol inhibit SaHPPK: molecular docking, molecular dynamics simulations and in vitro approaches.Annals of clinical microbiology and antimicrobials · 2018Article
- Exploring the Therapeutic Ability of Fenugreek against Type 2 Diabetes and Breast Cancer Employing Molecular Docking and Molecular Dynamics Simulations.Evidence-based complementary and alternative medicine : eCAM · 2018Article
- Sulfonanilide Derivatives in Identifying Novel Aromatase Inhibitors by Applying Docking, Virtual Screening, and MD Simulations Studies.BioMed research international · 2017Article
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Authors and funding
2 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
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.
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