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Pharmacokinetics and pharmacodynamics modeling is a clinical tool in assistingthe drug development process. The rational for positive clinical testing has been established as pk/pd modeling. Absorption, distribution, metabolism, and excretion (ADME) and chemical reactivity related toxicity is, low while biological receptor activity is higher dimensional in chemistry space and this is partly explainable by evolutionary pressures on ADME to deal with endobiotics and exobiotics. ADME is hard to predict for large data sets because current ADME experimental screens are multi - mechanisms and predictions get worse as more data accumulates. The compounds were analyzed for binding sites. The roots and rhizomes of natural herbs have been used to treat mental weakness, cancer, hypo and hyper thyroidism anti-bacterial disease, viral disease, antifungal, anti-parasitic, oncological disease and also exhibits cardiovascular protective activity and used in the treatment of neural disease. One of the main pharmacological problems today in the treatment of chronic inflammation diseases consists of the fact that anti-inflammatory drugs usually exhibit side effects. The natural products offer a great hope in the identification of bioactive lead compounds and their development into drugs for treating inflammatory diseases computer drug design has proved to be a very useful tool for discovering new drugs. Nature is exhaustible source of natural compounds. The plant possesses immunomodulatory, analgesic, anti convulsant, anti-tubercular, anti- inflammatory, spermicidal, central nervous system, depressive and cardio stimulant properties. The main natural compounds used in cancer therapy and prevention, the historical aspects of their application and pharmacognosy. Clinical trials of marketed formulation showed very encouraging results.

Toxico-Informatics: Study of Natural Ligand for New Disease Era