Hydrophobic Donor feature Positive ionic Hydrophobic 21 Electron withdrawing Let’s look at the structural organization of actives MMV 1794348 and MMV 1794346 MMV1794346 MMV1794348 pIC50 6.91 pIC50 6.92 ❑ Activity-wise (pIC50s 6.91, 6.92), MMV 1794346 and MMV 1794348 do not differ much. [...] ▪ This scaffold was devoid of any of the HHHPR features. [...] 29 MMV 1848887 pIC50 4.75 ▪ Here, H2 and P6 were not mapped to the respective constituent. [...] -NH-CH2- linker ▪ Here, the -NH-CH2- linker to chlorophenyl (R3) not seemed to favor the mapping and activity as well. [...] falciparum 3D7 Aim: Use untargeted metabolomics, proteomics and CETSA to determine the mode of action of the aryl piperazine and aryl imidazole scaffolds from the Malaria Libre program Metabolomics and proteomics methodological details: ▪ Test compounds: active and inactive analogues ▪ Compound concentration: 1 µM ▪ Incubation time: 5 hours ▪ Metabolite extraction: Cold methanol ▪ Protein solubili.
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