PREPARATION OF TWO NEW DERIVATIVES OF ELLAGIC ACID AND IN-SILICO STUDIES OF THEIR DRUG LIKE PROPERTIES

Till the nineteenth century, people worldwide were relying on herbal medicines for their health problems. Today, it is common knowledge that different parts of plants contain various phytochemicals. Phytochemicals exhibit variety of physiological activities and health benefits. Due to the side effects shown by synthetic medicines, there is increased interest in phytopharmaceuticals. There are many instances where natural chemicals have played important role in new drug discovery. Chemical modification of pharmacophore in naturally occurring drug has resulted into new drugs with better drug properties. Ellagic acid is a phytochemical belonging to polyphenol class. It shows many biological and medicinal activities including antioxidant, anti-inflammatory, anti-cancer, neuroprotective, anti-diabetic. Hepatoprotective, cardioprotective, skin protective effects. It contains lactone rings, aromatic rings in form of biphenyl unit and four phenolic hydroxy groups. The two new derivatives of ellagic acid are prepared. In the first one, benzoylation of all four phenolic hydroxy groupis carried out giving tetrabenzoyl ellagic acid. In the second, the lactone rings are opened by base hydrolysis forming aoctasodium salt of hydrolysed ellagic acid. The structures were confirmed by spectroscopy. In-silico study and comparison of drug like properties of ellagic acid with its two derivatives using ADMETlab showed that among the three molecules Ellagic acid and its hydroysis derivative are showing good physiochemical properties as well as medicinal properties. Among the three molecules, Hydrolysis derivative of Ellagic Acid shows the best absorption whereas Ellagic Acid shows best distribution. All the three molecules show moderate metabolism; excretion and toxicity profiles. On the basis of this analysis Ellagic Acid is having better drug like properties than its two derivatives.