866227-40-9Relevant academic research and scientific papers
Synthesis, biological evaluation, and modeling studies of inhibitors aimed at the malarial proteases plasmepsins I and II
Muthas, Daniel,Noeteberg, Daniel,Sabnis, Yogesh A.,Hamelink, Elizabeth,Vrang, Lotta,Samuelsson, Bertil,Karlen, Anders,Hallberg, Anders
, p. 5371 - 5390 (2007/10/03)
The increasing resistance of the malarial parasite to antimalarial drugs is a major contributor to the reemergence of the disease and increases the need for new drug targets. The two aspartic proteases, plasmepsins I and II, from Plasmodium falciparum have recently emerged as potential targets. In an effort to inhibit these hemoglobinases, a series of inhibitors encompassing a basic hydroxyethylamine transition state isostere as a central fragment were prepared. The synthesized compounds were varied in the P1′ position and exhibited biological activities in the range of 31 to >2000 nM. To try to rationalize the results, molecular docking and 3D-QSAR analysis were used.
