Exploring the potential of Beta Vulgaris L. Against thrombocytopenia: in vitro, in silico, phytochemicals, and antioxidant analysis

Abstract

The purpose of this study was to assess anti- thrombocytopenia of beetroot extract using both in vitro and in silico methods. Additionally, antioxidant capacity, phenolic content, and flavonoid content of beetroot were determined. The extraction procedure was optimized by reflux method, the extracts obtained were examined to determine the Total Phenolic Content (TPC) and Total Flavonoid Content (TFC) using the Folin-Ciocalteu colorimetric and aluminum chloride methods, respectively. Furthermore, antioxidant capacity was assessed using the DPPH method, while betanin concentration was determined by thin-layer chromatography. This research approach encompasses the binding acticity of ligands and target proteins, the process of docking thrombopoietin receptor (TPOr) and betanin compound using Swissdock, and the examination of docking data using the USCF Chimera software. The studies revealed that the reflux-extracted beetroot extract had a total phenol concentration of 39.72 ± 2.56 mgGAE/g. The flavonoid concentration of beetroot extract obtained using reflux extraction was 5.47 ± 0.39 mg QE/g. The qualitative test conducted using thin layer chromatography yielded data indicating that the reflux-extracted extract tested positive for betanin. The reflux approach yielded an extract with antioxidant activity (IC50) of 95.71 μg/ml. The results of the molecular docking simulation showed that the betanin compound had a ΔG value of -8.1 Kcal/mol. It interacts with multiple amino acid residues, including LEU62, PRO63, ALA64, VAL65, ASP66, ARG138, THR139, THR140, ALA141, HIS142, ALA147, ILE148, LEU150, SER151, HIS154, PRO70, ARG71, ARG102, PHE104, PHE105, PRO106, and PHE126. An in vitro study demonstrated that the extract of Beta vulgaris L. has the ability to induce blood coagulation, indicating its potential as a haemostatic agent. Additionally, in silico investigations suggest that the betanin chemicals found in beetroot serve as TpoR agonists, and it can be concluded that betanin has antithrombocytopenia potential.