In silico AND in vitro ANALYSIS OF ANTI-UROLITHIATIC ACTIVITY OF GARCINONE E ISOLATED FROM Garcinia mangostana PERICARP EXTRACT
AKASH KUMARAN
Department of Biotechnology, Sri Venkateswara College of Engineering, Post Bag No.1, Pennalur, Spriperumbudur Tk, Kancheepuram Dt, TN-602117, India.
PRABHU SUKUMARAN
Department of Biotechnology, Sri Venkateswara College of Engineering, Post Bag No.1, Pennalur, Spriperumbudur Tk, Kancheepuram Dt, TN-602117, India.
*Author to whom correspondence should be addressed.
Abstract
Background: In some previous studies, the aqueous crude fruit pericarp extract of Garcinia mangostana was reported for its anti-urolithiatic property to replace allopathic medicine due to its side effects. Based on this previous study the current study was focused on anti-urolithiatic property of Garcinone E, a xanthone polyphenol isolated from the fruit pericarp of G.manostana, which has not been tested for its anti-urolithiatic property till now.
Objective: The aim of the current study is to investigate anti-urolithiatic property of the isolated Garcinone E (GE) from G.mangostana fruit pericarp using both In silico and in vitro analysis. Materials and Methods: In silico Molecular docking was performed in AutoDock 4.0 on Garcinone E with Kidney stone forming proteins- Xanthine dehydrogenase (Xdh), Oxalate oxidase and Tamm-Horesefall Protein (THP) and was visualised in Discovery studio software. In vitro Simultaneous Static flow Model (S.S.M) was performed to investigate its Anti-urolithiatic property against Calcium Oxalate (CaOx) and Calcium Phosphate (CaP) crystals. Nucleation inhibition and Aggregation inhibition assays were also performed as preliminary studies using Calcium Oxalate crystal model. Results: Molecular Docking studies showed an interaction of Garcinone E with oxalate oxidase, THP and Xdh with binding affinity of -6.53, -5.64 and -4.96 Kcal/mol respectively and changed the property of THP, Xdh and Oxalate oxidase which inhibits the promotion of formation of Kidney stone. S.S.M showed 47.01% inhibition for CaOx crystals and 68.79% inhibition of CaP crystals. Percentage inhibition of nucleation and aggregation of CaOx produced by isolated Garcinone E was found to be 62.87 ± 1.49% and 64.19 ± 1.42% respectively at 1 mg/ml.
Conclusion: Thus, Garcinone E proved to be potent Anti-urolithiatic agent by reducing and disintegrating the urinary crystals.
Keywords: Anti-urolithiasis, Garcinone E, molecular docking, nucleation, aggregation, S.S.M.