Docking investigation and binding interaction of gingerol with the liver enzymes, alanine aminotransferase (ALT) and aspartateaminotransferase (AST)

Gingerols are the major pungent compounds present in the rhizomes of ginger (Zingiber officinale Roscoe) and are renowned for their contribution to human health and nutrition. Medicinal properties of ginger, including the alleviation of nausea, arthritis and pain, have been associated with the gingerols. Gingerol analogues are thermally labile and easily undergo dehydration reactions to form the corresponding shogaols, which impart the characteristic pungent taste to dried ginger. Both gingerols and shogaols exhibit a host of biological activities, ranging from anticancer, anti-oxidant, antimicrobial, anti-inflammatory and anti-allergic to various central nervous system activities. Inclusion of ginger or ginger extracts in nutraceutical formulations could provide valuable protection against diabetes, cardiac and hepatic disorders [1].Alanin aminotransferase (ALT) andaspartate aminotransferase (AST) are the most important enzymes in group of trans-amines.ALT is a specific factor in liver for defining the liver damage. It is only increased in the liver of patients, but AST acts not only as a factor in liver damage but also is increased in heart damages [2]. The purpose of this study was to investigate the effect of ginger on hepatic enzymes including aspartate aminotransferase (AST) and alanine aminotransferase (ALT).The crystal structure of ALT (PDB entry 3IHJ) and AST (PDB entry 1IVR) were obtained from the Protein Data Bank (http://www.rcsb.org./pdb). Molecular docking technique was performed to investigate the probable interactions. B3lyp/6-31g method was used to determine docking data such as binding energy (Kb) and inhibition constant (Ki) values. Molecular docking studies confirms the interaction between gingerol and the enzymes.