Anti-human Lung Cancer Activities and Survey of Glutathione Reductase and Glutathione S Transferase Inhibition Properties with Molecular Modeling Studies of 2′-Hydroxy-5′-methyl-3′-nitroacetophenone: a Pre-Clinical Trial Study

IntroductionThe molecular docking method was found to calculate the biological activity of the 2′-hydroxy-5′-methyl-3′-nitroacetophenone (2′-H-5′- M-3′-N) molecule against the enzymes studied.Material and methodsIn these calculations, the enzymes used were glutathione reductase (GR) and glutathione S-transferase (GT). After the modeling calculations were completed, the ADME/T parameters were examined to calculate the future drug use properties of the 2′-H-5′-M-3′-N molecule. To survey the antioxidant properties of 2′-H-5′-M-3′-N, the DPPH test was used. Several human lung adenocarcinoma cell lines, i.e., lung moderately differentiated adenocarcinoma (LC-2/ad), lung poorly differentiated adenocarcinoma (PC-14), and lung well-differentiated bronchogenic adenocarcinoma (HLC-1) cell lines, were used to determine the anticancer properties of the molecule.ResultsCell viability of 2′-H-5′-M-3′-N was very low against PC-14, LC-2/ad, and HLC-1 cell lines without any cytotoxicity towards the normal cell line. The IC50 values of 2′-H-5′-M-3′-N against LC-2/ad, PC-14, and HLC-1 cell lines were 475, 250, and 691 µg/ml, respectively. The best anti-human lung cancer properties of 2′-H-5′-M-3′-N against the above cell lines were observed in the case of the PC-14 cell line.Conclusions2′-H-5′-M-3′-N was found to have significant antioxidant and anti-human lung cancer properties. It appears that the anti-human lung carcinoma effect of 2′-H-5′-M-3′-N is due to its antioxidant effects.