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The 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 methods  In 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 examinedto 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 wasused. Several human lung adenocarcinoma cell lines, i.e., lung moderatelydifferentiated 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 propertiesof the molecule.    Results  Cell 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 lineswere 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 observedin the case of the PC-14 cell line.    Conclusions  2′-H-5′-M-3′-N was found to have significant antioxidant andanti-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.

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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