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  • Characterisation of hydrazides and hydrazine derivatives as novel aspartic protease inhibitors.

Characterisation of hydrazides and hydrazine derivatives as novel aspartic protease inhibitors.

Journal of enzyme inhibition and medicinal chemistry (2010-01-13)
Waseem Ahmed, Mubeen Rani, Ishtiaq A Khan, Asif Iqbal, Khalid M Khan, M A Haleem, M Kamran Azim
摘要

Virtual screening of an in-house virtual library of synthetic compounds using FlexX, followed by enzyme inhibition, identified hydrazide and hydrazine derivatives as novel aspartic protease inhibitors. These compounds inhibited human cathepsin D and Plasmodium falciparum plasmepsin-II with low micromolar concentrations (IC(50) = 1-2.5 microM). Modelling studies with plasmepsin-II predicted binding of ligands at the centre of the extended substrate-binding cleft, where hydrazide/hydrazine parts of the inhibitors acted as the transition state mimic by forming electrostatic interactions with catalytic aspartates.

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氢化偶氮苯