Molecular Docking And Anticancer Activity Of Isolated Compound From Bruguiera Cylindrica Leaf Extract
Year: 2024
Type: article
Abstract: 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 µg (MCF7) and 70.8 µg 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.
Author: Kumari., L.L.T
Language: English
Subfield: Aquatic Science
Domain: Life Sciences
Open Access status: diamond
OpenAlex ID: W4404156339