Structural characterization and insilico study on Pisonia alba Leaves extract

Abstract

Urolithiasis is defined as the presence of one or more calculi in the kidney. ClC5 is located preliminary in the kidneys, particularly in proximal tubules. It helps to reabsorb nutrients, water and other materials from the bloodstream. Pisonia alba plant leaves were used for different maladies. The present research is focus to screen the secondary compounds from the Pisonia alba leaves by GCMS and FTIR. The bioactive compounds were forwarded to insilico study with renal protein ClC5, followed by Lipinski’s rule 5, molinspiration, bioactivity score and the toxicity by ADMET. The methanolic extract revealed 15 compounds in GCMS and 17 groups in FTIR, while in chloroform extract 11 bioactive compound in GCMS & 14 groups in FTIR analysis and in ethylacetate extract 9 phytocompounds in GCMS and 15 functional groups in IR spectral. The majorly repeated phytocompounds in GCMS were (Phytol, 3-O-Methyl glucose, Docosanoic acid, methyl ester, 3-Eicosene) docked with the renal target protein ClC5. Usually using standard drug for the urolithiasis tamsulosin hydrochloride and penicillamine were docked along with ClC5. Insilico study shows that the high affinity binding energy. The results showed the secondary metabolites has good affinity interaction. These create a platform to estimate the other contents.