Identification of novel antichlamydials through experimental compound library screening.

The data underlying Figs 1 and S5. (A) Chemical diversity of the screening library of 36,785 compounds, illustrated by principal component analysis based on molecular descriptors calculated with PaDEL-Descriptor. Data are displayed in Fig 1A. (B) Host cell viability and Chlamydia growth data from the experimental compound library screen. Data are displayed in Fig 1C and 1D. (C) Host cell viability and Chlamydia growth data from the retesting of the 271 hits from the experimental compound library screen. Data are displayed in Fig 1F–1I. (D) Estimated IC50 of the 271 hits. Data are displayed in Fig 1H. (E) Maximal structural similarity, represented by Tanimoto coefficients, between the hits and 506 known antibiotics in the Drug Repurposing Hub. Data are displayed in Fig 1I. (F) The 52 priority compounds from the experimental compound library screen, tested at 11 concentrations in triplicate. Data are displayed in Figs 1J and 1K, and S5. (G) Quantitative PCR-based validation of antichlamydial activity of selected compounds identified in the experimental compound library screen. Data are displayed in Fig 1K. (XLSX)