A Theoretical Study of 1, 1-diphenyl-2-picrylhydrazyl (dpph) Radical Scavenging Activities of Flavonoids Using Electrotopological State Atom (e-state) Parameters
نویسنده
چکیده
This study gives a quantitative structure activity relationship (QSAR) correlation of the thirty five flavonoid derivatives having 1, 1-diphenyl-2-picrylhydrazyl (DPPH) radical scavenging activities reported by Seyoum et al. The study was performed using electrotopological state atom (E-state) parameter as descriptors. Stepwise regression analysis was used as a chemometric tool. The predictive ability of the model was judged considering internal (Q) and external validation (Rpred) (Q = 0.581, Rpred=0.7284). The developed model indicates the importance of heteroatom oxygen and it is negatively contributed towards activity. Presence of methoxy group in the flavonoid nucleus is detrimental towards activity.
منابع مشابه
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