In-vitro cytotoxicity and in-silico investigation of the anticancer potential of 3-methoxyxanthen-9-one from Garcinia lanceifolia Roxb

Abstract

For its beneficial effects on health, Garcinia lanceifolia Roxb. Has long been used as a vegetable and in juice. In this study, as part of the process of finding and developing new drugs, we examine the cytotoxic and other pharmacological characteristics of isolated molecules. Various chromatographic methods were used to isolate the bioactive compounds identified by spectroscopic techniques. The brine shrimp lethality test was used to evaluate the cytotoxic properties of G. lanceifolia. In addition, the compounds' ADME screening, in-silico cell-line toxicity prediction, and molecular docking investigations were also looked into. The chemicals identified were 3-methoxyxanthen-9-one, Furo [3, 2-g] chromen-7-one, and 7-hydroxy-2-chromenone after a thorough spectrum analysis. According to an in-silico cell-line toxicity investigation, chemicals 1, 2, and 3 are likely to be active against different cancer cell lines. After a docking analysis against the cancer target protein epidermal growth factor receptor (EGFR), compound 1 (3-methoxyxanthen-9-one) showed a significant interaction with the active site of EGFR, with crucial amino acid residues including LEU694, ALA719, THR766, LEU820, and LEU831. The current study provided evidence that compound 1 (3-methoxyxanthen-9-one) may be a potent inhibitor against the cancer target protein EGFR, and this study will also be beneficial for the process of developing anticancer drugs.