DNA recognitions of Benzimidazole based Bendamustine, Albendazole, and Mebendazole: a Molecular Docking Study
DOI:
https://doi.org/10.48165/bpas.2023.42C.1.7Keywords:
Benzimidazole, AT-rich DNA, GC-rich DNA, Molecular DockingAbstract
A few very well-known marketed drugs-Bendamustine, Albendazole, and Mebendazole are studied whether the drugs can bind with two different oligonucleotides or not. Molecular docking study was employed to find the capability of these drugs towards two entirely different DNA sequences. Due to the three-dimensional structures; those drugs are found to bind differentially with DNA duplexes. The other functional possibilities of known drugs with DNA recognitions might be helpful in drug repurposing purposes with the findings of present study.
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References
Bennett, A., & Guyatt, H. (2000). Reducing intestinal nematode infection: efficacy of albendazole and mebendazole. Parasitology Today, 16(2), 71-77.
Biovia, D. S. (2017). BIOVIA discovery studio visualizer. Softw. Version, 20, 779. 3. Chai, J. Y., Jung, B. K., & Hong, S. J. (2021). Albendazole and mebendazole as anti parasitic and anti-cancer agents: an update. The Korean Journal of Parasitology, 59(3), 189.
Cheson, B. D., & Rummel, M. J. (2009). Bendamustine: rebirth of an old drug. Journal of Clinical Oncology, 27(9), 1492- 1501.
Forli, S., Huey, R., Pique, M. E., Sanner, M. F., Goodsell, D. S., & Olson, A. J. (2016). Computational protein–ligand docking and virtual drug screening with the Auto Dock suite. Nature protocols, 11(5), 905-919.
Hurley, L. H. (2002). DNA and its associated processes as targets for cancer therapy. Nature Reviews Cancer, 2(3), 188-200.
Harshman, K. D., & Dervan, P. B. (1985). Molecular recognition of B-DNA by Hoechst 33258. Nucleic acids research, 13(13), 4825- 4835.
Huey, R., Morris, G. M., & Forli, S. (2012). Using Auto Dock 4 and Auto Dock vina with Auto Dock Tools: a tutorial. The Scripps Research Institute Molecular Graphics Laboratory, 10550(92037), 1000.
Jejurikar, B. L., & Rohane, S. H. (2021). Drug designing in discovery studio.
Khan, G. S., Shah, A., & Barker, D. (2012). Chemistry of DNA minor groove binding agents. Journal of photochemistry and photobiology B: Biology, 115, 105-118.
Pjura, P. E., Grzeskowiak, K., & Dickerson, R. E. (1987). Binding of Hoechst 33258 to the minor groove of B-DNA. Journal of Molecular Biology, 197(2), 257-271.
Singh, M. P., Joseph, T., Kumar, S., Bathini, Y., & Lown, J. W. (1992). Synthesis and sequence-specific DNA binding of a topoisomerase inhibitory analog of Hoechst 33258 designed for altered base and sequence recognition. Chemical research in toxicology, 5(5), 597-607.
Singh, M., Sur, S., Rastogi, G. K., Jayaram, B., & Tandon, V. (2013). Bi and tri substituted phenyl rings containing bisbenzimidazoles bind differentially with DNA duplexes: a biophysical and molecular simulation study. Molecular Bio Systems, 9(10), 2541-2553.
