Crystallization (Comment) | Organism |
---|---|
ligand docking studies with plasmepsin II predict binding of benzimidazole compounds at the center of the extended substrate-binding cleft. According to the plausible mode of binding,the pyridine ring of benzimidazole compounds interact with S1' subsite residues whereas the acetophenone moiety is in contact with S1-S3 subsites of plasmepsin II active center | Plasmodium falciparum |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
1-(4-chlorophenyl)-2-[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]ethanone | IC50 700 nM for antiplasmodial activity | Plasmodium falciparum | |
1-(4-nitrophenyl)-2-[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]ethanone | IC50 2100 nM for antiplasmodial activity | Plasmodium falciparum | |
1-(biphenyl-4-yl)-2-[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]ethanone | highest antiplasmodial activity among compounds tested with IC50 of 160 nM | Plasmodium falciparum |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Plasmodium falciparum | - |
- |
- |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
DABCYL-L-Glu-L-Arg-L-Nle-L-Phe-L-Leu-L-Ser-L-Phe-L-Pro-EDANS + H2O | FRET-based substrate | Plasmodium falciparum | ? | - |
? |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.0147 | - |
pH 5.0, temperature not specified in the publication | Plasmodium falciparum | 1-(biphenyl-4-yl)-2-[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]ethanone | |
0.0212 | - |
pH 5.0, temperature not specified in the publication | Plasmodium falciparum | 1-(4-chlorophenyl)-2-[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]ethanone | |
0.0305 | - |
pH 5.0, temperature not specified in the publication | Plasmodium falciparum | 1-(4-nitrophenyl)-2-[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]ethanone |