In vivo and In silico Anti Inflammatory Studies of Alstonia scholaris Bark Extract

Abstract

The present research is focused on screening In vivo anti-inflammatory activity using carrageen and formalin induced paw edema model in rodents and In silico approaches like docking studies (mcule), Ramchandran plot (procheck) and PASS. The extract significantly inhibited inflammation caused by carrageenan and formalin at doses of 200 mg and 400 mg/kg body weight which is compared to the the effect of the standard drugs meloxicam and indomethacin. Docking studies for natural compounds were carried out against PDB ID: 2AZ5, PDB ID: 1IBC, PDB ID: 6COX, and PDB ID: 4NOS in order to assess the ligand-binding affinity of the active principles of the extract. The docking results showed that the phytoconstituents from the extract and standard drugs meloxicam and indomethacin had shown highest glide scores with all the selected proteins which indicate a greater affinity for binding between receptor and ligand. From the PASS results the possible interventions of selected active constituents of Alstonia scholaris were found to be anti- inflammatory intestinal, Prostaglandin-E2 9-reductase inhibitor, TNF expression inhibitor, Cyclooxygenase 1 and 2 inhibitors, NOS2 expression inhibitor, and Interleukin1 and 6 antagonists. From the prediction results of adverse effects the constituents like Stigmasterol, Diospyrolide, D-Friedoolean-14-en-3-one and Lupeol acetate were found to be free from any adverse effects. All the constituents of Alstonia scholaris were found to have interventions either as direct targets or possible targets with Histamine H2 receptor, Arachidonate 5-lipoxygenase, Interleukin-1 receptor-associated kinase 3 TNF-alpha, Cyclooxygenase 1, Prostanoid EP2 receptor, Prostaglandin E synthase, and Serotonin 1e (5-HT1e) receptor. From In vivo and In silico results it is evident that ethanolic bark extract of Alstonia scholaris possessed significant anti-inflammatory activity.