Computational Studies on Drug Likeness and Pharmacokinetic Profile of Selected Phytoconstituents from Liquorice
Keywords:admetSAR, Liquorice, Liquiritin, Molsoft, PubChem, Toxicity Investigation
Liquorice consists of dried, unpeeled, roots and stolons of Glycyrrhiza glabra Linn., traditionally used as an expectorant, demulcent, antispasmodic, flavoring agent and also used in the treatment of rheumatoid arthritis inflammation and addision’s disease. It has reported for the presence of wide variety of simple and complex primary and secondary phytoconstituents. In the present investigation an attempt has been made to study the drug likeness properties and pharmacokinetic profile of selected phytoconstituents from Liquorice using computer and server based technology. We have selected Liqhiritin, Isoliqiritin, Shinflavanone, Licopyranocoumarin, Methoxyficifolinol, Licoriphenon, Isoliquiritigenin, Ligquritigenin, Prenyllicoflavone A, and Glisoflavone. PubChem database server is used for the find out the canonical smiles. Molsoft server is used for the drug likeness and molecular property prediction. The using the admetSAR server was used for the determination of pharmacokinetic profile along with some toxicity investigations. The results of investigation yield the drug likeness score of selected phytoconstituents along with its absorption, distribution, metabolism, and excretion profile along with some toxicity behaviors of selected phytoconstituents. The present investigation concludes that computer and server based screening play important role for identification of drug like candidates from Liquorice and also data obtained from admetSAR is valuable for research on Liquorice.
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