Virtual Screening of Natural Metabolites as Candidate Drugs for Rheumatoid Arthritis

Abstract

Inflammation is a complex biological response to reject and heal any harmful stimuli created by pathogens, damaged cells or irritants. One of the more prevalent inflammatory disease found in 0.5-1.0% of the world’s population is Rheumatoid arthritis (RA). RA is an autoimmune disease affecting the synovia. The actual reason for this disease is still unknown and is more complex to study. So, the drugs which are commercialized acts only to reduce the outcome of the disease, pain, by inhibiting the vital enzymes responsible for the synthesis of inflammatory mediators called prostaglandins. Cyclooxygenase- I and Cyclooxygenase- II are the commonly targeted enzymes by the current drugs in market. These drugs are reported to affect the normal physiological functions of various organs leading to side effects. PGE2 is the major prostaglandin involved in this disorder and found abundant in the affected synovia. mPGES- I is a membrane protein involved in the biosynthesis of PGE2 which has been reported as a novel drug target to treat RA. Though synthesized chemical compounds have higher anti-inflammatory activity; they are reported to possess a number of side effects. Thus a library of natural compounds are collected and screened virtually as mPGES-1 inhibitors using Autodock 4.2.