In silico Antiurolithiatic Screening of Aerva lanata (L) Isolated constituents

Background: Traditionally known as Pashanabheda in India, Aerva lanata (L) belonging to the family Amaranthaceae, is widely available in Western ghats of India and used as Antiurolithiatic, astringent, diuretic, antimicrobial, antiinflammatory, hepatoprotective drug by Indian traditional system of medicines. Materials and Method: In the present study this herb is subjected to extraction with hydro alcohol followed by fractionation with different solvents of varying polarities such as dichloromethane, ethyl acetate and n-butanol and screened for Antiurolithiatic activity using ethylene glycol induced male Wistar albino rats. Based on the results, the potent fractions were subjected to isolation of active constituents using column chromatography. Results: The isolated compounds from two fractions n-butanol and ethyl acetate were characterized by modern analytical techniques such as IR, HPTLC, NMR and LCMS as Quercetin and Betulin. Later these two compounds were studied for Antiurolithiatic activity by In silico technique by docking with a protein 2 ETE of Oxalate oxidase from PDB and the results indicated better regio-specificity with the enzyme. Conclusion: The two compounds isolated from potent fractions based on bioactivity guided fractionation were characterized as Quercetin and Betulin by modern analytical techniques. These two compounds were studied by in silico method and these two compounds have produced significant results which substantiate their claim of bioactivity. However in vivo study is needed to confirm the activity.