Phytochemical Screening and Molecular Docking-Based Evaluation of Raphanus sativus L. Peel Extract as a Prospective Therapeutic Strategy for Diabetic Complications

Abstract

Radish (Raphanus sativus L.) is a therapeutically important root crop with various medicinal properties. The present study designed to find bioactive compounds from the methanolic peel extract of R. sativus and assess their inhibitory potential against aldose reductase, a key enzyme involved in the pathogenesis of cardiovascular diseases and other diabetic complications. The methanolic peel extract of R. sativus was evaluated by gas chromatography–mass spectrometry (GC-MS), revealing 35 distinct compounds. All compounds were evaluated for drug-likeness and pharmacokinetics using the SwissADME web tool. The results showed full compliance with Lipinski's Rule of Five, with no violations, demonstrating good oral bioavailability and drug-like properties. Additionally, molecular docking was carried out using the PyRx virtual screening tool to determine the binding affinity for aldose reductase. The Discovery Studio Visualizer was used to perform interaction analysis. The docking results exhibited that numerous phytocompounds have strong binding attractions for the active site of aldose reductase. Among the screened compounds, 1,4-benzenedicarboxylic acid, bis(2-ethylhexyl) ester showed the highest binding affinity with docking score of −6.8 kcal/mol, followed by cyclohexanone (−6.5 kcal/mol), lactose (−6.4 kcal/mol), phthalic acid (−6.3 kcal/mol), bis(2-ethylhexyl) phthalate (−5.9 kcal/mol), 4H-pyran-4-one derivative (−5.8 kcal/mol), and 3-deoxy-D-mannoic lactone (−5.5 kcal/mol). The findings validate that Raphanus sativus peel comprises compounds with promising inhibitory potential against aldose reductase, signifying its possible application in the management of diabetic complications. However, additional in vitro and in vivo research is recommended to confirm the identified compounds' therapeutic efficacy.