Elucidating the cytogenotoxic potential of gabapentin: in vitro and in silico analysis
Abstract
Purpose: This investigation aimed to evaluate the potential cytogenotoxic effects of gabapentin (GBP) on neuroblastoma cells (SH-SY5Y cell line) given its broad range of applications. Furthermore, the interaction between GBP and DNA polymerase beta (DNApolβ) was evaluated using in silico methods. Material and Methods: The 3-(4,5-dimethylthiazol-2-yl)-5-(3-carboxymethoxyphenyl)-2-(4-sulfophenyl)-2H-tetrazolium (MTS) assay was used to investigate the cytotoxicity of GBP at concentrations of 1 µM, 10 µM, 100 µM and 1000 µM. The IC₅₀ value of GBP was calculated, as were the genotoxic effects of GBP at concentrations of 0.14 µM, 0.28 µM, 0.56 µM and 1.12 µM, using the Comet assay. Additionally, AutoDock 4.0 was used to predict the interaction between GBP and the DNApolβ molecule in silico. Results: GBP significantly decreased the viability of SH-SY5Y cells by 70.2 ± 3.084% and 86.8 ± 3.324% at concentrations of 1 µM and 10 µM, respectively. Concentrations of GBP (0.14 µM, 0.28 µM, 0.56 µM and 1.12 µM) were found to be statistically significant for the damaged cell index (DCI) in SH-SY5Y cells at 298.219 ± 104.66, 593.436 ± 120.16, 1216.378 ± 215.96 and 1589.733 ± 472.65, respectively. The genetic damage index (GDI) for these concentrations was found to be statistically significant at 4.150 ± 1.92, 6.568 ± 1.27, 8.216 ± 0.60 and 9.181 ± 1.16, respectively. The Gibbs free binding energy of GBP with DNApolβ was calculated as -7.35 kcal/mol. Conclusion: The results of this study…
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