QSAR modeling for prediction of acute toxicity and mutagenicity in different test models by established common phytochemicals present in Phyllanthus niruri

In globe, Pyllanthus niruri is a well-established medicinal herb studied by many researchers, grown widely in many parts of West Bengal. The present study was aimed to predict the acute toxicity as LC50 in Daphnia magna and Pimephales promelas and rat oral LD50 value as well as Ames mutagenicity by using QSAR modeling software, T.E.S.T. (Toxicity Estimation Software Tool) for commonly found phytochemicals in Pyllanthus niruri. In present works, the data were obtained for LC50, few phytochemicals were toxic to D. magna and P. promelas and also mutagenic but rat oral LD50 determined less toxic. The present QSAR modeling work is suggesting that more researches should be required through experimental as well as predictive study with other prescribed software to know the mechanisms of toxicity and mutagenicity for these combined form of phytochemicals after separating each natural chemical from extract prior to drugs development for therapeutic usage.