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Literature summary for 3.4.23.39 extracted from

  • Saify, Z.S.; Azim, M.K.; Ahmad, W.; Nisa, M.; Goldberg, D.E.; Hussain, S.A.; Akhtar, S.; Akram, A.; Arayne, A.; Oksman, A.; Khan, I.A.
    New benzimidazole derivatives as antiplasmodial agents and plasmepsin inhibitors: Synthesis and analysis of structure-activity relationships (2012), Bioorg. Med. Chem. Lett., 22, 1282-1286.
    View publication on PubMed

Crystallization (Commentary)

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

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

Organism UniProt Comment Textmining
Plasmodium falciparum
-
-
-

Substrates and Products (Substrate)

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 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