Retraction to: The Journal of Antibiotics
https://doi.org/10.1038/s41429-023-00598-y published online 08 February 2023
The Editor-in-chief has retracted this article because after the publication of the article, a reader noted that erroneous configurations were used for molecular docking calculations. Additionally, the publisher found that the structures presented in Table 1 are incorrect due to errors made during the publication of the article. However, PubChem CIDs displayed in Table 1 remain the same. Further investigation by the Journal found discrepancies in the structures of compounds in Table 1 (derived from PubChem) and the articles cited in PubChem [1,2,3]. Therefore, the molecular docking calculations presented in this manuscript do not correspond to the antibacterial activity reported in cited articles [1,2,3]. Additionally, these discrepancies and errors substantially affect the findings and conclusions of the article. Therefore, the Editor-in-Chief has lost confidence in the data of the article.
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The oxime structures of compounds 1–11 are syn in [1] and anti in PubChem.
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The oxime structures of compounds 12, 13, 15–21, and 23–30 are syn in PubChem and in Refs. [2, 3]. However, absolute configurations of the β-lactam of compounds 12, 13, 15–21, and 23–30 retrieved from 3D structures (PubChem) were found to be wrong. The correct configurations should be 6R,7R because they are cephalosporin derivatives.
None of the authors have responded to any correspondence from the publisher or Editor in Chief regarding the final version of this retraction.
References
Chang KY, Kim SH, Nam G, Seo JH, Kim JH, Ha D-C. Synthesis and structure–activity relationships of quaternary ammonium cephalosporins with 3-pyrazolylpyridinium derivatives. Bioorg Med Chem Lett. 2000;10:1211–4. https://doi.org/10.1016/s0960-894x(00)00203-1.
Kim SH, Son H, Nam G, Chi DY, Kim JH. Synthesis and in vitro antibacterial activity of 3-[N-methyl-N-(3-methyl-1,3-thiazolium-2-yl)amino]methyl cephalosporin derivatives. Bioorg Med Chem Lett. 2000;10:1143–5. https://doi.org/10.1016/s0960-894x(00)00130-x.
Kim Y-Z, Lim J-C, Yeo J-H, Bang C-S, Kim W-S, Kim S-S. et al. Synthesis and antimicrobial activity of novel [(3-aminopyrimidiniumyl)thio]methyl cephalosporins. J Med Chem. 1994;37:3828–33. https://doi.org/10.1021/jm00048a018.
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Ameji, P.J., Uzairu, A., Shallangwa, G.A. et al. Retraction Note: Molecular docking simulation, drug-likeness assessment, and pharmacokinetic study of some cephalosporin analogues against a penicillin-binding protein of Salmonella typhimurium. J Antibiot 77, 128 (2024). https://doi.org/10.1038/s41429-023-00684-1
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DOI: https://doi.org/10.1038/s41429-023-00684-1