Abstract
Background
Ficus benghalensis L. is traditionally used to manage diabetes; also used in various herbal formulations, and is indicated as an insulin sensitizer. Hence, present work attempted in identifying the probable lead hits to promote glucose uptake via computational approach followed by experimental evaluation of hydroalcoholic extract of Ficus benghalensis L. bark in yeast cells.
Methods
The in vitro assay for glucose uptake was performed in the baker yeast whereas in-silico study involved retrieving the phytoconstituents from open sources, and predicting for probable targets of diabetes followed by drug-likeness score, probable side effects, and ADMET profile. Homology modeling was performed to construct the target protein glucose transporter-2. In addition, the binding affinity of each ligand with glucose transporter was predicted using AutoDock 4.2.
Results
A total of 17 phytoconstituents from F. benghalensis were identified to possess the anti-diabetic effects. Among them, 4-methoxybenzoic acid scored the highest drug-likeness score and lupeol acetate had the maximum binding affinity of -8.02 kcal/mol with 9 pi-interactions via Tyr324, Phe323, Ile319, Ile200, Ile28, Phe24, and Ala451. Similarly, the extract showed the highest glucose uptake efficacy in yeast cells at 500 µg/mL.
Conclusion
Herein the present study reflected the probable activity of the phytoconstituents from F. benghalensis in promoting the glucose uptake via the in silico and in vitro approaches.
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Abbreviations
- 3D:
-
3 Dimensional
- ADMET:
-
Absorption, distribution, metabolism, and excretion
- ChEBI:
-
Chemical Entities of Biological Interest
- DM:
-
Diabetes Mellitus
- PDB:
-
Protein data bank
- RCSB:
-
Research Collaboratory for Structural Bioinformatics
- SMILES:
-
Simplified molecular-input line-entry system
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Acknowledgements
The authors are thankful to Principal KLE College of Pharmacy Belagavi, KLE Academy of Higher Education and Research (KAHER) Belagavi.
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Madiwalar, V.S., Dwivedi, P.S.R., Patil, A. et al. Ficus benghalensis promotes the glucose uptake- Evidence with in silico and in vitro. J Diabetes Metab Disord 21, 429–438 (2022). https://doi.org/10.1007/s40200-022-00989-2
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DOI: https://doi.org/10.1007/s40200-022-00989-2