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Literature summary for 3.4.23.39 extracted from

  • Dali, B.; Keita, M.; Megnassan, E.; Frecer, V.; Miertus, S.
    Insight into selectivity of peptidomimetic inhibitors with modified statine core for plasmepsin II of Plasmodium falciparum over human Cathepsin D (2011), Chem. Biol. Drug Des., 79, 411-430.
    View publication on PubMed
Search for more literature for 3.4.23.39

Crystallization (Commentary)

Crystallization (Comment) Organism
generation of 3D-QSAR pharmacophore models for binding of PlmII inhibitors. A series of 26 inhibitors were modeled in the binding clefts of the PlmII and human cathepsin D to establish QSAR models of the proteases inhibition. The contributions of the P2 and P3' residues to the inhibitor’s binding affinity are responsible for the target selectivity Plasmodium falciparum

Inhibitors

Inhibitors Comment Organism Structure
(2R,3R,4S,6R)-6-[[(E)-2-(4-acetylphenyl)ethenyl]oxy]-2-[[(2E)-3-(4-acetylphenyl)prop-2-en-1-yl]oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]heptanediamide inhibitor candidate, designed according to inhibitor modeling. Selectivity index Ki value Cathepsin D to Ki value PlmII is 333 Plasmodium falciparum
N-[(2S,3S)-2-hydroxy-3-[(phenoxyacetyl)amino]-4-phenylbutyl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide inhibitor candidate, designed according to inhibitor modeling. Selectivity index Ki value Cathepsin D to Ki value PlmII is 15 Plasmodium falciparum
N-[(2S,3S)-5-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-[(4-bromobenzyl)oxy]-3-hydroxy-5-oxopentan-2-yl]-2,4,6-trifluorobenzamide inhibitor candidate, designed according to inhibitor modeling. Selectivity index Ki value Cathepsin D to Ki value PlmII is above 400 Plasmodium falciparum

Localization

Localization Comment Organism GeneOntology No. Textmining

Organism

Organism UniProt Comment Textmining
Plasmodium falciparum
-
-
-

Source Tissue

Source Tissue Comment Organism Textmining

Synonyms

Synonyms Comment Organism
PLMII
-
 Plasmodium falciparum

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0000043
-
 predicted inhibition constant, temperature not specified in the publication, pH not specified in the publication Plasmodium falciparum N-[(2S,3S)-2-hydroxy-3-[(phenoxyacetyl)amino]-4-phenylbutyl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
0.000006
-
 predicted inhibition constant, temperature not specified in the publication, pH not specified in the publication Plasmodium falciparum (2R,3R,4S,6R)-6-[[(E)-2-(4-acetylphenyl)ethenyl]oxy]-2-[[(2E)-3-(4-acetylphenyl)prop-2-en-1-yl]oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]heptanediamide
0.00001
-
 predicted inhibition constant, temperature not specified in the publication, pH not specified in the publication Plasmodium falciparum N-[(2S,3S)-5-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-[(4-bromobenzyl)oxy]-3-hydroxy-5-oxopentan-2-yl]-2,4,6-trifluorobenzamide