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Synthesis, biological evaluation, and modeling studies of inhibitors aimed at the malarial proteases plasmepsins I and II.

Abstract：

: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.

journal_name

Bioorg Med Chem

journal_title

Bioorganic & medicinal chemistry

authors

Muthas D,Nöteberg D,Sabnis YA,Hamelink E,Vrang L,Samuelsson B,Karlén A,Hallberg A

doi

10.1016/j.bmc.2005.06.048

subject

Has Abstract

pub_date

2005-09-15 00:00:00

pages

5371-90

issue

18

eissn

0968-0896

issn

1464-3391

pii

S0968-0896(05)00610-3

journal_volume

13

pub_type

杂志文章

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