Extraction and Isolation of Phenolic compounds from Sweet lime and Evaluation of Anticancer potentiality followed by Molecular docking against Topoisomerase II

Abstract

The main aim and objective of the present research work was the isolation of some novel bioflavanoids from methanolic extract of peels of sweet lime (MEE-PSWL) and evaluation of in vitro anticancer activity followed by molecular docking against target protein topoisomerase II. The extraction was done by reflux condensation method and preliminary phytochemical screening of MEE-PSWL was carried out for the evaluation of bioactive molecules, the bioflavanoids present in MEE-PSWL was confirmed by spectral analysis such as ESI-MS-MS and FTIR. Molecular docking of isolated compounds was carried out against target protein Topoisomerase II with PDB id 1ZXM by Auto dock program and the best dock pose was selected based on the interaction study analysis. In vitro anticancer activity MEE-PSWL was evaluated by SRB assay toward human colon adenocarcinoma cell line SW620 and the test was carried out at different concentrations. A preliminary screening displayed that the MEE-PSWL was able to inhibit the proliferation of more than 60% of human colon adenocarcinoma SW620 cells. The maximum growth of inhibition was found to be at 125µg/ml (IC50 4.5µg/ml) and the standard drug doxorubicin was found to inhibit the maximum proliferation at concentration 75µg/ml (IC50 3µg/ml).