Ligand-based screening of chemical constituents of Glycyrrhiza glabra in search of inhibitors of xanthine oxidase
2012
Naeem, S. (Karachi Univ. (Pakistan). Dept. of Biochemistry) | Shireen, E. (Karachi Univ. (Pakistan). Dept. of Biochemistry) | Bano, K. (Karachi Univ. (Pakistan). Dept. of Biochemistry) | Barlow, D.J. (King's Coll. London (UK). Inst. of Pharmaceutical Science)
The ligand-based screening of the chemical compounds found in Glycyrrhiza glabra has been performed by Random forest modeling to search the inhibitors of xanthine oxidase, which has been implicated in oxidative injury to tissue and in many other diseases. The hits obtained by RF modeling are mostly flavonoids with Kumatakenin, Isoquercitrin and astragalin among the top of the list with 0.97, 0.96 and 0.95 RF score, and thus potentially be inhibitors of enzyme xanthine oxidase.
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