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. 2018 Oct 17;8:15329. doi: 10.1038/s41598-018-33587-5

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© The Author(s) 2018

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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(A) Constellation plot depicting structural clustering (2D-Tanimoto) of 40 primary hits generated based on structural similarity between hits. Structural similarity scores were retrieved from PubChem database and plot was generated using JMP software. Hits were clustered into three major clusters. The 11 selected bactericidal SMs are labelled 1–11. SMs belonging to same chemical groups were mostly clustered together, (B) Common scaffolds identified in anti-APEC SMs in this study. (I) pyrrolidinyl, (II) piperidine, (III) imidazole, and (IV) quinoline.