Asthma is a chronic inflammatory illness characterised by airway constriction and alterations in immune cells, including eosinophil, neutrophils, macrophages, lymphocytes and cytokines. Globally, asthma prevalence is increasing, with industrialised countries having the highest frequency. Therefore, it was crucial to find a unique medication made from plants that had the fewest negative effects. With the help of computational methods, we attempted to create therapeutic molecules for asthma from plant chemicals in this effort. First, 80 phytoconstituents from various medicinal plants were discovered; these compounds were then further examined for the Lipinski rule of 5 (Rule for oral drug molecules). According to the Lipinski rule's results, only 34 out of the 80 compounds satisfy the conditions of an oral drug. Additional build QSAR tests were conducted for 34 compounds from medicinal plants and the results showed that only 4 of the compounds lie on the regression line in the graph, which was predicted to forecast the 4 best bindings to the targets. Then the finding of QSAR analysis was docked with Interleukin-13 protein using Argus lab Software. The most favourable docked confirmation was selected and further conformation were analysed for its binding interactions between ligands and targets using PyMol. Finally, the results of QSAR and Docking were assessed and the best compounds were observed to possess anti-asthmatic efficacy.
Loading....