Any feedback?
Please rate this page
(literature.php)
(0/150)

BRENDA support

Literature summary for 2.7.3.3 extracted from

  • Sakthivel, S.; Habeeb, S.K.M.; Raman, C.
    Screening of broad spectrum natural pesticides against conserved target arginine kinase in cotton pests by molecular modeling (2019), J. Biomol. Struct. Dyn., 37, 1022-1042 .
    View publication on PubMed

Crystallization (Commentary)

Crystallization (Comment) Organism
homology modeling and docking of inhibitors N-[2-(1H-imidazol-4-yl)ethyl]-3-[1-(2-methoxyethyl)indol-3-yl]propanamide, 5,7-dihydroxy-2-phenyl-6,8-bis(1-piperidylmethyl)chromen-4-one, (2S)-2-[[2-[[(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoyl]amino]acetyl]amino]propanoic acid and 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6,8-dimethyl-chromen-2-one. All inhibitors bind in the substrate binding pocket, all complexes maintain similar potential energy and are stable Spodoptera exigua
homology modeling and docking of inhibitors N-[2-(1H-imidazol-4-yl)ethyl]-3-[1-(2-methoxyethyl)indol-3-yl]propanamide, 5,7-dihydroxy-2-phenyl-6,8-bis(1-piperidylmethyl)chromen-4-one, (2S)-2-[[2-[[(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoyl]amino]acetyl]amino]propanoic acid and 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6,8-dimethyl-chromen-2-one. All inhibitors bind in the substrate binding pocket, all complexes maintain similar potential energy and are stable Helicoverpa armigera
homology modeling and docking of inhibitors N-[2-(1H-imidazol-4-yl)ethyl]-3-[1-(2-methoxyethyl)indol-3-yl]propanamide, 5,7-dihydroxy-2-phenyl-6,8-bis(1-piperidylmethyl)chromen-4-one, (2S)-2-[[2-[[(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoyl]amino]acetyl]amino]propanoic acid and 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6,8-dimethyl-chromen-2-one. All inhibitors bind in the substrate binding pocket, all complexes maintain similar potential energy and are stable Aphis gossypii

Inhibitors

Inhibitors Comment Organism Structure
(2S)-2-[[2-[[(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoyl]amino]acetyl]amino]propanoic acid ZINC12654467, probably competitive inhibitor identified by in silico screening Aphis gossypii
(2S)-2-[[2-[[(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoyl]amino]acetyl]amino]propanoic acid ZINC12654467, probably competitive inhibitor identified by in silico screening Helicoverpa armigera
(2S)-2-[[2-[[(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoyl]amino]acetyl]amino]propanoic acid ZINC12654467, probably competitive inhibitor identified by in silico screening Spodoptera exigua
4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6,8-dimethyl-chromen-2-one ZINC20412486, probably competitive inhibitor identified by in silico screening Aphis gossypii
4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6,8-dimethyl-chromen-2-one ZINC20412486, probably competitive inhibitor identified by in silico screening Helicoverpa armigera
4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6,8-dimethyl-chromen-2-one ZINC20412486, probably competitive inhibitor identified by in silico screening Spodoptera exigua
5,7-dihydroxy-2-phenyl-6,8-bis(1-piperidylmethyl)chromen-4-one i.e. ZINC08836734, probably competitive inhibitor identified by in silico screening Aphis gossypii
5,7-dihydroxy-2-phenyl-6,8-bis(1-piperidylmethyl)chromen-4-one i.e. ZINC08836734, probably competitive inhibitor identified by in silico screening Helicoverpa armigera
5,7-dihydroxy-2-phenyl-6,8-bis(1-piperidylmethyl)chromen-4-one i.e. ZINC08836734, probably competitive inhibitor identified by in silico screening Spodoptera exigua
N-[2-(1H-imidazol-4-yl)ethyl]-3-[1-(2-methoxyethyl)indol-3-yl]propanamide i.e. ZINC79191494, probably competitive inhibitor identified by in silico screening Aphis gossypii
N-[2-(1H-imidazol-4-yl)ethyl]-3-[1-(2-methoxyethyl)indol-3-yl]propanamide i.e. ZINC79191494, probably competitive inhibitor identified by in silico screening Helicoverpa armigera
N-[2-(1H-imidazol-4-yl)ethyl]-3-[1-(2-methoxyethyl)indol-3-yl]propanamide i.e. ZINC79191494, probably competitive inhibitor identified by in silico screening Spodoptera exigua

Organism

Organism UniProt Comment Textmining
Aphis gossypii F4YCW3
-
-
Helicoverpa armigera
-
-
-
Spodoptera exigua
-
-
-