MOLECULAR DOCKING OF SOYA PHOSPHATIDYLCHOLINE (SOYA PC) WITH VARIOUS INFLAMMATORY MEDIATORS (CYTOKINES): AN IN SILICO STUDY

Abstract

Soya Phosphatidylcholine (PC) is commonly referred to as soya lecithin. Lecithin is widely used as a drug carrier in the form of liposomes. Additionally, the soya PC also has suggested a potential role in the management of various inflammatory diseases. The inflammatory response is almost common in many diseases, exaggerated by the persistent infiltration of various inflammatory cells and the release of proinflammatory mediators. Toll-like receptor 4 (TLR4) plays a key role in amplifying inflammatory response by releasing various proinflammatory cytokines. The literature has suggested the TLR4 antagonistic potential of soya PC. However, the potential effect of soya PC on proinflammatory cytokines is still hidden. Thus, with the renewed interest, the present study was undertaken to investigate the molecular binding of three different soya PC based on their fatty chain variation against various proinflammatory cytokines (IL-1β, IL-6, and TNF-α) using in silico computational docking. The structures were retrieved from the protein databank and PubChem. The molecular docking study was performed using the Autodock software, and bond interactions were analyzed using Discovery Studio 4.1 Visualizer. The results suggested all three ligands showed good binding affinity towards the selected protein receptors. However, Soya PC (16(0)16(0)) showed best docking score compared to PC (16(0)18(2)) and PC (18(2)18(2)).