A COMPUTATIONAL DRUG DESIGNING FROM REPORTED ACTIVE PRODUCT OF Andrographis Panicultata TO CURE HEPATIC TOXICITY

Andrographis panicultata (Kaalmegha) has long been used for hepatotoxicity according to ancient herbal practices. One of the major active products of the herbal plant is Silymarin. Silymarin consists of four flavonolignan isomers namelysilybin/silibinin, isosilybin, silydianin and silychristin. Here, the computational approach shows that silybin/silibinin binds to IGFBP3 and ALOX5, two major proteins that are upregulated as a body defense mechanism during liver damage. IGFBP3 is an IGF1 binding protein. IGF1 is involved in curing hepatotoxicity. On the contrary ALOX5 is an enzyme. Both the protein molecules can be potential targets of silibinin. Silibinin 3D structure was docked to the target proteins as a ligand. The scores for such docking was satisfactory. However, this conclusion should be subjected to further in vitro experiment as in biological system often that binds irreversibly is not the best effector. In final analysis, satisfactory binding scores explain a novel mechanism of how silibinin may act to cure hepatic toxicity. This research, although was focused to find the target of the afore-mentioned ligand, in the future may pave the way for a synthetic drug. It should also boost our confidence on herbal practices and thereby link a bridge between traditional and modern treatment techniques.