International Journal of Pharma and Bio Sciences
ijpbs.net
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10.22376/ijpbs.2019.10.1.p1-12
Volume 3 Issue 3
2012 (July - September)
A Theoretical Study Of 1, 1-Diphenyl-2-Picrylhydrazyl (Dpph) Radical Scavenging Activities Of Flavonoids Using Electrotopological State Atom (E-State) Parameters
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 lessThan sup greaterThan 2 lessThan /sup greaterThan ) and external validation (R lessThan sup greaterThan 2 lessThan /sup greaterThan lessThan sub greaterThan pred lessThan /sub greaterThan ) (Q lessThan sup greaterThan 2 lessThan /sup greaterThan = 0.581, R lessThan sup greaterThan 2 lessThan /sup greaterThan lessThan sub greaterThan pred lessThan /sub greaterThan =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.
Supratim Ray
QSAR, E-state, Stepwise regression, Flavonoids
543-550