DOI: 10.6084/m9.figshare.12473108.v3
title: Identification of 6-(piperazin-1-yl)-1,3,5-triazine as a chemical scaffold with broad anti-schistosomal activities

description: This data record consists of nine datasets. <br>Dataset 1. RNAi-mediated knockdown of smp_138030/smmll-1.xlsx<br>Dataset 2. Schistosomula drug screen of putative SmMLL-1 inhibitors.xlsx<br>Dataset 3. Adult worm drug screen of putative SmMLL-1 inhibitors.xlsx<br>Dataset 4. Anti-schistosomal activity of compound 7 structural analogues (set two).xlsx<br>Dataset 5. Anti-schistosomula activity of the remaining compound 7 analogues.xlsx<br>Dataset 6. Miracidia drug screen.xlsx<br>Dataset 7. Raw data for EC50 and CC50 calculation.xlsx<br>Dataset 8. Schistosomula titration of compound 7.xlsx<br>Dataset 9. SEM images.pptxDataset 10. Somula microscopy images (related to Fig 3).pptxDataset 11. Somula microscopy images (Supp Fig 2).pptx<br><br>Dataset 1. RNAi-mediated knockdown of smp_138030/smmll-1.xlsx includes the raw data related to the qRT-PCR analysis(i.e. the CT values), the parasite motility (WormassayGP2 readings), egg count and the detection of H3K4 methylation (i.e. OD readings) following the RNAi-mediated knockdown of <i>smp_138030/smmll-1</i>. <br>Dataset 2. Schistosomula drug screen of putative SmMLL-1 inhibitors.xlsx includes the raw data (both phenotype and motility scores) of the drug screens (both 50 and 10 uM) on schistosomula of the putative SmMLL-1 inhibitors identified using an in silico virtual screening in the first paert of the study.<br>Dataset 3. Adult worm drug screen of putative SmMLL-1 inhibitors.xlsx includes the raw data (both parasite motility data and egg count) of the drug screen of compound 7 on <i>Schistosoma mansoni</i> adult worms. <br>Dataset 4. Anti-schistosomal activity of compound 7 structural analogues (set two).xlsx includes the raw data of the drug screen of the second set of compounds. For each compound, both phenotype and motility scores of the drug screens (both 50 and 10 uM) on schistosomula were reported. Raw data (both parasite motility data and egg count) of the drug screen on adult worm (single-point concentration, 12.50 uM) were reported only for the compounds identified as hit at 10 uM on the larva stage. <br>Dataset 5. Anti-schistosomula activity of the remaining compound 7 analogues.xlsx includes the raw data of the drug screen of the third set of compounds. For each compound, both phenotype and motility scores of the drug screens (both 50 and 10 uM) on schistosomula were reported. Raw data (both parasite motility data and egg count) of the drug screen on adult worm (two concentration only, 12.50 uM and 6.25 uM) were reported only for the compounds identified as hit at 10 uM on the larva stage. <br>Dataset 6. Miracidia drug screen.xlsx includes the raw data of the miracidia drug screen of compound 7 (full titration) and its most active structural analogues (single-point concentration, 10uM). <br>Dataset 7. Raw data for EC50 and CC50 calculation.xlsx includes the raw data of the schistosomula drug screens (both phenotype and motility scores) and MTT assay on HepG2 cells for each compound displaying an anti-schistosomal activity below 10 uM on the larva stage. The EC<sub>50</sub> and CC<sub>50</sub> values were calculated based on these raw data.<br>Dataset 8. Schistosomula titration of compound 7.xlsx includes the raw data (both phenotype and motility scores) of the full titration of compound 7 on schistosomula larva stage.<br>Dataset 9. SEM images.pptx includes the scanning electron microscopy (SEM) images revealing extensive damage in worms treated with a sub-lethal concentration (12.5 µM) of compound 7 when compared to control worms (DMSO).Dataset 10. Somula microscopy images (related to Fig 3).pptx includes images derived from the drug screen on schistosomula performed with the high-content imaging platform Roboworm. These images are the original files used to prepare Panel C of Fig 3.<br>Dataset 11. Somula microscopy images (Supp Fig 2).pptx includes images derived from the drug screen on schistosomula performed with the high-content imaging platform Roboworm. These images are the original files used to prepare Panel B of Supp Fig 2.