Abstract:

Phytoconstituent present in Cassia Auriculata were found to obey the Lipinski’s rule (MiLog P <5) α - Tocopherol (2.007) indicated their drug likeness property. Among these compounds, α - Tocopherol exhibited highest score towards GPCR ligand, (0.25) nuclear receptor ligand (0.43) and inhibitory activities towards protease (0.29), enzyme (0.25) and kinase (-0.22) inhibitors compared to others. Insilico determination of binding energy using DFT method proved that α- Tocopherol was found to possess good binding energy (B3LYP and HF method were found to -1228.3913, -1236.9904 &-1243.4557 a.u. and -1220.2810,-1228.4658 &-1234.8000 a.u.) among others hence it was found to be more stable.

Keywords: Cassia auriculata phytochemical compounds, Molinspiration software, DFT methods and Insilico prediction.

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