Determination of biological activities of malabar spinach (Basellaalba) fruit extracts and molecular docking against COX-II enzyme

Abstract

To achieve the health benefit from the natural of Basella. Albafruit. This study intended to figure out the bioactive compounds in the two varieties of B. alba (native and hybrid) fruit extract and measurement its biological activities like antioxidant, anti-inflammatory, cytotoxic activities and a molecular docking were performed to observed the pharmaceutical impact on the anti-inflammatory Cyclooxygenase-2 (COX-2) enzyme. The cold extractions along with GC-MS were used for the extraction of and analysis of phytoconstituents from B. alba fruit. The hemolytic inhibitory and BSA (Bovine serum albumin)-denaturation assay, DPPH(2,2-diphenyl-1-picrylhydrazyl) and H2O2-free radical scavenging analysis, and brine shrimp lethalness test were performed to measure the biological activities of the extracted The biological activities assay results showed that the ethanol extract of native malabar spinach exhibited dose-dependent antioxidant activity. The IC50 value 21.55 ± 1.51 μg/mL was for DPPH scavenging assay and 23.36 ± 0.36 μg/mL was for H2O2 scavenging analysis. In anti-inflammatory activity assessment study, the IC50 values of the ethanol extracts were 20.52 ± 0.91 μg/mL for BSA inhibition and 20.43 ± 1.30 μg/mL for RBC hemolytic inhibitory study. In this study, cytotoxicity test results reveal that aqueous extract exhibited no cytotoxicity as compared to ethanol and ethyl acetate extract (LD50 = 875.27 μg/mL). Conversely, the current study insist the in silico analysis, to find out the anti-inflammatory activity of the investigated two fruit varieties due to pharmacokinetics analysis, toxicity properties analysis, ADMETand molecular docking. The result of this study signified that both (native and hybrid) malabar spinach fruit varieties contain phytoconstituents with potent antioxidant, anti-inflammatory, and cytotoxic action.Moreover, the in vitro and in silico results suggest that the native and hybrid fruit varieties of the extracts could be a superior striver for future appraisal as a prospective therapeutically active ingredient.