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Results 1 - 10 of 83 > >>
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EC Number Inhibitors Commentary Structure
Show all pathways known for 2.7.7.60Display the word mapDisplay the reaction diagram Show all sequences 2.7.7.60more no inhibition of Mycobacetrium tuberculosis IspD by (2,4-dichloro-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate, MMV008138 Go to the Ligand Summary Page
Show all pathways known for 2.7.7.60Display the word mapDisplay the reaction diagram Show all sequences 2.7.7.60more the PfISPD genetic locus is refractory to disruption in malaria parasites, providing independent genetic validation for efforts targeting this enzyme. Phosphonic acid antibiotic fosmidomycin is a substrate mimic and inhibitor of DXR.13 The inhibition of downstream enzyme IspD is also metabolically apparent in fosmidomycin-treated cells, although IspD homologues are not directly inhibited by fosmidomycin in vitro Go to the Ligand Summary Page
Show all pathways known for 2.7.7.60Display the word mapDisplay the reaction diagram Show all sequences 2.7.7.60more inhibitor design and inhibition structure-activity relationships analysis, overview. In addition to (1R,3S)-configuration, potent growth inhibition requires 2',4'-disubstitution of the D-ring, featuring at least one electron-withdrawing substituent. Neither (1R,3S)-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid (bearing an unsubstituted phenyl ring) nor (1R,3S)-1-[2,4-di(propan-2-yl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid (bearing 2',4'-dimethyl substitution) inhibit Plasmodium falciparum growth at 0.01 mM. The 2'-chloro substituted analogue (1R,3S)-1-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid shows weak growth inhibition, and (1R,3S)-1-(2-chloro-4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid (2'-chloro-4'-methyl substituted) nearly recapitulates the potency of (1R,3S)-MMV008138. The carboxy substituent at C3 of the C-ring also proves to be essential, replacement with CO2Me (3a) or H (11a) abrogates growth inhibition potency. But weak growth inhibition is restored with the first amide analogue (1R,3S)-1-(2,4-dichlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide, and methyl amide derivative (1R,3S)-1-(2,4-dichlorophenyl)-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide proves equipotent to (1R,3S)-MMV008138. Not inhibitory: (1R,3S)-1-(3,4-dichlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid, methyl (1R,3S)-1-(2,4-dichlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate. Go to the Ligand Summary Page
Show all pathways known for 2.7.7.60Display the word mapDisplay the reaction diagram Show all sequences 2.7.7.60more high-throughput screening to identify inhibitors of MEP cytidylyltransferase (IspD) Go to the Ligand Summary Page
Show all pathways known for 2.7.7.60Display the word mapDisplay the reaction diagram Show all sequences 2.7.7.60more bench-scale high-throughput screening to identify inhibitors of MEP cytidylyltransferase (IspD) using purified, recombinant IspD, a commercially available 1280 compound molecular library, and a 150 sample, in-house prepared, natural product extract library. The enzyme activity is not affected by 0.01% Triton X-100, but inhibition is attenuated in the presence of Triton X-100 for all inhibitors, except 6-hydroxy-DL-DOPA Go to the Ligand Summary Page
Show all pathways known for 2.7.7.60Display the word mapDisplay the reaction diagram Show all sequences 2.7.7.60more docking study Go to the Ligand Summary Page
Show all pathways known for 2.7.7.60Display the word mapDisplay the reaction diagram Show all sequences 2.7.7.60more inhibitor screening and enzyme-inhibitor molecular docking study using enzyme structure with bound CTP and Mg2+ (PDB ID 3Q7U). The attached CTP and Mg2+ ion are deleted from the structure, followed by refinement of the protein subunit. The crucial active site residues Gly16, Arg83, Thr84, and Thy190 play a vital role in the protein-ligand stabilization process Go to the Ligand Summary Page
Show all pathways known for 2.7.7.60Display the word mapDisplay the reaction diagram Show all sequences 2.7.7.60more inhibitor molecular docking study Go to the Ligand Summary Page
Show all pathways known for 2.7.7.60Display the word mapDisplay the reaction diagram Show all sequences 2.7.7.60CTP substrate inhibition Go to the Ligand Summary Page
Show all pathways known for 2.7.7.60Display the word mapDisplay the reaction diagram Show all sequences 2.7.7.60quercetin quercetin is retained as a lead molecule for inhibition of IspD, 96% inhibition at 0.1 mM Go to the Ligand Summary Page
Results 1 - 10 of 83 > >>
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