Molecular Docking And Anticancer Activity Of Isolated Compound From Bruguiera Cylindrica Leaf Extract

In research, the anticancer property of "7-(dimethyl amino)-3ethyl-8-oxo-5-thia-1-azabicyclo (4.2.0)-Oct-2-ene-2carboxylic acid" (LS2) that was purified from B. cylindrica has been studied.For evaluating the anticancer efficacy of the compound two cancer cell lines (human breast (MCF-7) and lung cancer cell lines (A549) were chosen for both in vitro by MTT assay and in silico studies using autodock 4.2 in MCF-7 and A549 in IC50 was anticancer activity for the compound had increased with an increase in concentration with IC50 was 58.81 g (MCF7) and 70.8 g for (A549).Further confirmation studies were done by docking of the compound with the proteins of the above-examined cancer cell lines in compared with the typical drug doxorubicin.According to the docking investigations, LS2 exhibited similar results with higher binding energy, constant inhibition, and a greater number of amino acid interactions involving hydrogen bonds in comparison to the standard drugs.