Epigenetic and environmental outlook on Swertia chirata bioactive compounds targeting the raptor protein in Sjogren’s syndrome

Sjogren’s Syndrome (SS) comes under the category of autoimmune disease, epigenetic, genetic, and environmental factors, which work together, and due to the environmental sensitivity of Sjogren’s Syndrome, these factors can alter immunological processes, including mTOR signalling. Antipyretic as well as anti-inflammatory are the main properties of the herbal plant Swertia Chirata. Compounds from Swertia chirata have been researched to find effective treatments for a number of illnesses, but SS has not yet been explored in Swertia chirata. This study aims to give an in silico analysis of therapeutic applications of Swertia chirata against the Raptor protein, a target for Sjogren’s syndrome. PubChem was used to retrieve the structures of Swertia chirata bioactive compounds. Computational docking was performed using the AutoDock VINA program, and the results were examined using the Discovery Studio visualizer. Binding pocket identification was done of the target protein with the help of Prankeb, and structural validation was done by PROCHECK. Fourteen phytochemicals are reported to form hydrogen bonds to Raptor residues that are structurally and catalytically important. The top compounds, including swertiapuniside, amarogentin, mangiferin, and oleanolic acid, showed a stable hydrogen bond interaction with the residues that play highly important catalytic roles (ASN361, ARG358, and THR421) in highly accessible binding pockets of Raptor. They were selected to be further structurally and dynamically studied to determine how they affected the Raptor activity in Sjogren’s syndrome. Further investigation is necessary to confirm the results of Swertia Chirata's activities both in vitro and in vivo, as well as to uncover their underlying mechanisms of action against the Raptor protein in the pathogenesis of SS.