Molecular docking analysis of selected bioactive components of Glycyrrhiza glabra against bronchial asthma

Abstract

Bronchial asthma is a chronic inflammatory disease of the lung by the combined action of various cytokines. As a result of the strong inflammatory response increased infiltration of cytokines result, damages respiratory epithelium, Hyperplasia of the trachealis muscle, and increased mucous production. Athimathura choornam is a promising drug used in all inflammatory conditions. Objective:  To explore the efficacy of the Siddha formulation Athimathura choornam, an anti asthmatic drug using computational molecular docking analysis. Method: Based on the phytochemical study the active principles present in the plant Athimathuram were retrieved. 3D structure of the targets were retrieved from the repository and purified before the initiation of docking using the software. The potency of the drug was screened based on the binding of the ligands Asparagine, Liquiritin, and Glabridin with targets mentioned. These results were compared with the standard drugs such as Cetirizine, Salicylic acid, Diclofenac, Ibuprofen, and Celecoxib. Results and Conclusion: Liquiritin has 9 interactions (90%) similar to that of Ibuprofen, 14 interactions (90%) similar to that of  Citrazinehence , 5 interactions (100%) similar to that of salicylic acid hence it has promising COX 1 inhibition ,Histamine 1 blocking activity and Prostaglandin Synthase inhibition activity. Asparagine has 3 interactions (60%) similar to Celecoxib, has promising COX 2 inhibition activity. Glabridin has 2 interactions (50%) similar to that of Diclofenac hence it has promising IL6 inhibition activity.