Phytochemical Screening, GC-MS Analysis, Molecular Docking Study and Evaluation of Antioxidant and Antimicrobial Activity of Sapindus emarginatus Seed Kernel

Abstract

Objectives: The present study was designed to identify and screen phytochemicals present in methanolic extract of Sapindus emarginatus seed kernel, to evaluate its antimicrobial and antioxidant activity and to search for dihydropteroate synthase (3TYE) enzyme inhibitors through molecular docking study. Methods: Phytochemicals present in methanol extract were screened using standard protocol. Identification of phytochemicals was carried out using GC-MS. DPPH assay and Microbroth dilution assay were used to evaluate antioxidant and antimicrobial activity respectively. Molecular Operating Environment (MOE) was used for molecular docking. Results: Preliminary phytochemicals screening of extract revealed the presence of alkaloids, carbohydrates, flavonoids, glycosides, phenols and tannins, terpenoids, saponins and fat & oil. GC-MS study was showed 12 peaks indicating the presence of 12 different phytoconstituents. The extract exhibited very good inhibition (MIC= 200µg/mL) against S. pyogenus compared with inhibition of standard drug ampicillin (MIC= 100µg/mL). Molecular docking result revealed that 4H-1-Benzopyran-4-one, 2-[3,4-dihydroxyphenyl]-5-hydroxy-3,7-dimethoxy bind effectively to the active site residues of dihydropteroate synthase (3TYE) with docking score of -6.53kcal/mol. Conclusion: Phytochemicals were investigated (Phytochemicals screening and GC-MS analysis) are responsible of antimicrobial or antioxidant activity of Sapindus emarginatus seed kernel.