An Insilico Drug Design for Rheumatoid Arthritis

Rheumatoid arthritis (RA) is a chronic autoimmune disease affecting ~1% of the worldwide population. Recent biochemical and genetic evidence has strongly suggested that a dysregulated protein arginine deiminase (PAD) activity, in particular protein arginine deiminase 4 (PAD4) contributes to the onset and progression of RA. PAD4 is a transcriptional co-regulator that catalyzes the calcium-dependent conversion of specific arginine residues in proteins to citrulline. The role of PAD4 in RA leads to be a potential therapeutic target for the treatment of RA. Through insilico structure based drug design for PAD4 of Homo sapiens, the amide derivatives confirmed the binding affinity with the active sites of PAD4. The molecular docking analysis showed H bonding interactions between active sites of PAD4 and atoms of lead 3 and lead 8 of amide derivatives.