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Bhargavi. G,
- Student, Department of Biotechnology MES College of Arts, Commerce and Science Malleshwaram, Bengaluru, Karnataka, India
Abstract
Objectives: Autosomal dominant polycystic kidney disease (ADPKD) is the most common inherited kidney disorder, leading to the formation of multiple cysts in the kidneys. It is a major cause of end-stage renal disease (ESRD), which often requires dialysis or a kidney transplant for survival.This research focuses on identifying potential bioactive compounds derived from natural sources that show promise for drug development targeting the V2R gene. Methods: The naturally occurred phytochemical compounds Terminalia arjuna have multiple bioactive properties in the medical field. Drug illness prediction, molecular docking, and absorption, distribution, metabolism, and excretion (ADME) analysis were employed to identify the most suitable ligand candidates for drug development. The V2R protein and its chains were retrieved from the Protein Data Bank (PDB) after undergoing purification. Ligands with poor binding affinity to the target protein were excluded from further analysis. To evaluate drug-likeness, ADMET and Swiss-ADME analyses were performed. Molecular docking simulations were conducted using PyRx. Additionally, the Ramachandran plot was utilized to illustrate the torsion angles Φ and ψ within the protein backbone, offering insights into the structural conformation. Results: The phytocompound found in Terminalia arjuna has a potential binding affinity with V2R found in molecular docking. ADMET profile and docking showed only one compound with highest binding affinity, that is Arjunolic acid was found to be best which can poses the properties of drug. Conclusion: The bioactive compounds identified in this study could be regarded as potential drug candidates for inhibiting renal cytogenesis, owing to their promising binding affinity with both structural and non-structural proteins of the virus. These findings suggest that these compounds may play a crucial role in therapeutic strategies aimed at targeting renal disease progression.
Keywords: Hereditary kidney disease, Bioactive compounds, Renal cytogenesis inhibition, Potential binding affinity.
[This article belongs to Research & Reviews : Journal of Computational Biology (rrjocb)]
Bhargavi. G. Targeting Vasopressin 2 Receptor (V2R) in Renal Cystogenesis by exploring the Nephroprotective potential of “Terminalia arjuna”.. Research & Reviews : Journal of Computational Biology. 2024; 13(02):-.
Bhargavi. G. Targeting Vasopressin 2 Receptor (V2R) in Renal Cystogenesis by exploring the Nephroprotective potential of “Terminalia arjuna”.. Research & Reviews : Journal of Computational Biology. 2024; 13(02):-. Available from: https://journals.stmjournals.com/rrjocb/article=2024/view=180802
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Research & Reviews : Journal of Computational Biology
| Volume | 13 |
| Issue | 02 |
| Received | 02/09/2024 |
| Accepted | 07/10/2024 |
| Published | 04/11/2024 |