Gene set enrichment analysis of alpha-glucosidase inhibitors from Ficus benghalensis
Open Access
- 31 May 2019
- journal article
- research article
- Published by Medknow in Asian Pacific Journal of Tropical Biomedicine
- Vol. 9 (6), 263-270
- https://doi.org/10.4103/2221-1691.260399
Abstract
Objective: To identify alpha-glucosidase inhibitors from Ficus benghalensis and analyze gene set enrichment of regulated protein molecules. Methods: The phytoconstituents of Ficus benghalensis were queried for inhibitors of alphaglucosidase, also identified as aldose reductase inhibitors. Druglikeness score, absorption, distribution, metabolism, excretion and toxicity profile, biological spectrum, and gene expression were predicated for each compound. Docking study was performed to predict the binding affinity with alpha-glucosidase and aldose reductase and compared with clinically proven molecules. Kyoto Encyclopedia of Genes and Genomes pathway analysis was performed for the regulated genes to identify the modulated pathways. Results: Apigenin, 3,4',5,7-tetrahydroxy-3'-methoxyflavone, and kaempferol were identified as inhibitors of alpha-glucosidase and aldose reductase. Kaempferol was predicted to possess the highest binding affinity with both targets. The p53 signaling pathway was predicted to modulate the majority of protein molecules in diabetes mellitus. All the alpha-glucosidase inhibitors were also predicted as membrane integrity agonist and anti-mutagenic compounds. Conclusions: The current study indicates alpha-glucosidase inhibitors from Ficus benghalensis can act as aldose reductase inhibitors after absorption from the intestinal tract. Furthermore, these phytoconstituents are involved in the regulation of numerous protein molecules and pathways. Hence, the anti-diabetic efficacies of these compounds are due to their action on multiple protein molecules and synergistic effects which should be confirmed by future investigations.Keywords
This publication has 28 references indexed in Scilit:
- Diagnosis and classification of autoimmune diabetes mellitusAutoimmunity Reviews, 2014
- DIGEP-Pred: web service for in silico prediction of drug-induced gene expression profiles based on structural formulaBioinformatics, 2013
- Inhibitory activities of Ficus benghalensis bark against carbohydrate hydrolyzing enzymes - An in vitro studyPharmacognosy Journal, 2011
- p73 tumor suppressor protein: A close relative of p53 not only in structure but also in anti-cancer approach?Cell Cycle, 2010
- AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibilityJournal of Computational Chemistry, 2009
- Caspase‐8: a key role in the pathogenesis of diabetic embryopathyBirth Defects Research Part B: Developmental and Reproductive Toxicology, 2009
- The WNT signalling pathway and diabetes mellitusDiabetologia, 2008
- BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinitiesNucleic Acids Research, 2006
- Cytoscape: A Software Environment for Integrated Models of Biomolecular Interaction NetworksGenome Research, 2003
- PASS Biological Activity Spectrum Predictions in the Enhanced Open NCI Database BrowserJournal of Chemical Information and Computer Sciences, 2002