Abstract

The application of supplementary herbal medicines has lately expanded in an effort to discover viable alternative therapies that lessen the side effects of chemical pharmaceuticals. Oxyspora paniculata is a rich source of phytochemicals with pharmacological action; therefore, it may have health advantages. This current research was performed to analyze the in silico evaluation of phytoconstituents present in Oxyspora paniculata for neuropharmacological, antidiarrheal, and thrombolytic activity. In silico activity of the isolated constituents for antioxidant activity was carried out by PyRx AutoDock Vina, and the protein-ligand interactions were examined using BIOVIA Discovery Studio Visualizer. ADME analysis was performed utilizing the SwissADME free online web server, and a toxicology study was done using the admetSAR online server. In the computational approach, among all the proteins, a docking score was found ranging from −4.6 to −10.3 kcal/mol. Besides, all the compounds were found safe in the ADME/T study. The absorption, distribution, metabolism, excretion/toxicity evaluation of phytoconstituents assures that they have obeyed Lipinski’s guideline of five, suggesting their safe consumption. The results of our scientific research validate the suitability of this plant as an alternative source of novel therapeutics. It was determined that Oxyspora paniculata contained active phytochemicals, which might provide a variety of pharmacological uses as a hidden source of substances with significant medicinal value. This needs more investigation in order to identify secondary metabolites that can be used to treat various illnesses.