ANTI-INFLAMMATORY, ANTI-BACTERIAL, IN SILICO DOCKING AND ADME STUDIES OF IXORA JAVANICA

Abstract

The present study is focused on the anti-inflammatory and anti-bacterial property of methanolic extract of Ixora javanica. An attempt was made to screen the anti-inflammatory activity of Ixora javanica using in vitro and in vivo models like protein denaturation method and Carrageen an induced paw edema model using diclofenac sodium as standard. The extract has shown a significant reduction in the protein denaturation at 100μg/ml, 200μg/ml and in paw volume at the dose of 200 mg/kg bd. wt (p is less than 0.01) and 400 mg/kg bd. wt (pis less than 0.001) when compared to the disease control group. The extract was also evaluated for its antibacterial activity using Agar plate diffusion method. The extract showed an increase in the inhibitory zones with increase in the doses. To understand the ligand-binding affinity of the active constituents of the extract, docking studies were performed for natural compounds present in the extract such as formononetin, ferulic acid, rutin, maslinic acid, quinic acid, palmitic acid, serine and standard drug diclofenac sodium against PDB ID: 1EQG, 1OQ5 and 3CMP using mcule online software tool and the structures were docked against these proteins. The results revealed that formononetin, maslinic acid, ferulic acid, quinic acid, palmitic acid, serine, and standard drug diclofenac sodium had shown highest glide scores which indicates a stronger receptor-ligand binding affinity among the various phytochemical constituents present in the extract. An in-silico study of these selected phytochemical constituents were also subjected to ADME and bioactivity score. The results of bioactivity score of GPCR ligand, ion channel modulator and nuclear receptor ligand, inhibitor activities towards kinase, protease and enzymes indicated that the compounds exhibited active to moderate score towards all the receptors. From the above, methanolic extract of flower heads of Ixora javanica possessed significant anti-inflammatory and antibacterial activity.