(Q46408285)

21 December 2017

title

Computer-aided design and synthesis of nonpeptidic plasmepsin II and IV inhibitors (English)

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21 December 2017

main subject

computer-aided design

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Torsten Luksch

1

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21 December 2017

Nan-Si Chan

2

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21 December 2017

Sascha Brass

3

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21 December 2017

Christoph A Sotriffer

4

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21 December 2017

Gerhard Klebe

5

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21 December 2017

Wibke E Diederich

6

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21 December 2017

publication date

1 September 2008

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21 December 2017

published in

ChemMedChem

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21 December 2017

volume

3

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21 December 2017

issue

9

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21 December 2017

page(s)

1323-1336

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21 December 2017

Molecular characterization and inhibition of a Plasmodium falciparum aspartic hemoglobinase.

cites work

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Hemoglobin degradation in the human malaria pathogen Plasmodium falciparum: a catabolic pathway initiated by a specific aspartic protease

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https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Order and specificity of the Plasmodium falciparum hemoglobin degradation pathway

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https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Sequence, expression and modeled structure of an aspartic proteinase from the human malaria parasite Plasmodium falciparum

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https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

The aspartic proteinase from the rodent parasite Plasmodium berghei as a potential model for plasmepsins from the human malaria parasite, Plasmodium falciparum.

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https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Four plasmepsins are active in the Plasmodium falciparum food vacuole, including a protease with an active-site histidine

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https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Plasmodium falciparum cysteine protease falcipain-1 is not essential in erythrocytic stage malaria parasites

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https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Characterization of native and recombinant falcipain-2, a principal trophozoite cysteine protease and essential hemoglobinase of Plasmodium falciparum

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https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Gene disruption confirms a critical role for the cysteine protease falcipain-2 in hemoglobin hydrolysis by Plasmodium falciparum

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https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Identification and characterization of falcilysin, a metallopeptidase involved in hemoglobin catabolism within the malaria parasite Plasmodium falciparum

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https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

A Plasmodium falciparum dipeptidyl aminopeptidase I participates in vacuolar hemoglobin degradation

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https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Aspartic proteases of Plasmodium falciparum and other parasitic protozoa as drug targets.

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https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Expression and characterisation of plasmepsin I from Plasmodium falciparum

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https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Inhibitors of the Plasmodium falciparum parasite aspartic protease plasmepsin II as potential antimalarial agents

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https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Achiral, cheap, and potent inhibitors of Plasmepsins I, II, and IV

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https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Genetic disruption of the Plasmodium falciparum digestive vacuole plasmepsins demonstrates their functional redundancy

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https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

The role of Plasmodium falciparum food vacuole plasmepsins

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Plasmodium falciparum ensures its amino acid supply with multiple acquisition pathways and redundant proteolytic enzyme systems

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Critical roles for the digestive vacuole plasmepsins of Plasmodium falciparum in vacuolar function

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Plasmepsin 4, the food vacuole aspartic proteinase found in all Plasmodium spp. infecting man.

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Plasmepsins as potential targets for new antimalarial therapy

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https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Renin inhibition by substituted piperidines: a novel paradigm for the inhibition of monomeric aspartic proteinases?

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https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

An old target revisited: two new privileged skeletons and an unexpected binding mode for HIV-protease inhibitors

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https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

De Novo design, synthesis, and in vitro evaluation of a new class of nonpeptidic inhibitors of the malarial enzyme plasmepsin II.

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Starving the malaria parasite: inhibitors active against the aspartic proteases plasmepsins I, II, and IV.

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Structure and inhibition of plasmepsin II, a hemoglobin-degrading enzyme from Plasmodium falciparum

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Novel uncomplexed and complexed structures of plasmepsin II, an aspartic protease from Plasmodium falciparum

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

X-ray structure of plasmepsin II complexed with a potent achiral inhibitor

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Potent inhibitors of the Plasmodium falciparum enzymes plasmepsin I and II devoid of cathepsin D inhibitory activity

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

C2-symmetric inhibitors of Plasmodium falciparum plasmepsin II: synthesis and theoretical predictions

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

The potential of P1 site alterations in peptidomimetic protease inhibitors as suggested by virtual screening and explored by the use of C-C-coupling reagents

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Synthesis of malarial plasmepsin inhibitors and prediction of binding modes by molecular dynamics simulations

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Designing non-peptide peptidomimetics in the 21st century: inhibitors targeting conformational ensembles.

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

The Cambridge Structural Database: a quarter of a million crystal structures and rising

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Inhibitor binding to the plasmepsin IV aspartic protease from Plasmodium falciparum

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

A new method to detect related function among proteins independent of sequence and fold homology.

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

MAB, a generally applicable molecular force field for structure modelling in medicinal chemistry.

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Amino acid substitution matrices from protein blocks

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

The Amber biomolecular simulation programs

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Comparison of simple potential functions for simulating liquid water

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

VMD: visual molecular dynamics

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

A fast flexible docking method using an incremental construction algorithm.

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Relibase: design and development of a database for comprehensive analysis of protein-ligand interactions

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200700270

7 January 2021

Identifiers

DOI

10.1002/CMDC.200700270

1 reference

21 December 2017

1 reference

21 December 2017