Fig. 2
From: Industrial scale high-throughput screening delivers multiple fast acting macrofilaricides
Overview of the HTS. a Results in ChemGPS chemical space. Purple spheres represent examples of current anti-Wolbachia agents; black points represent the ~20,000 actives identified in the primary HTS; orange spheres represent the 360 compounds from the 57 clusters tested in the microfilarial (Mf) assay; green spheres represent the 18 confirmed, potent hits. The position in ChemGPS space indicates a compound’s size, hydrophobicity/hydrophilicity and flexibility (T1, T2 and T3 defined in ref. 21). The hits span a large proportion of the chemical space covered by the ~6000 compounds. The 3D plot was produced in R using the rgl library (http://cran.r-project.org). b The full screening campaign and triaging process. Each stage includes the total compounds screened (rectangular box on the right) and hits identified (circular box on the right). The screen used (C6/36 (wAlbB) or Brugia malayi Mf) and screening location (AstraZeneca or A·WOL) are indicated on the left. Rational analysis was utilised at every stage based on cheminformatics and available data
