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Literature summary for 1.5.1.3 extracted from

  • da Cunha, E.F.; Ramalho, T.C.; Reynolds, R.C.
    Binding mode analysis of 2,4-diamino-5-methyl-5-deaza-6-substituted pteridines with Mycobacterium tuberculosis and human dihydrofolate reductases (2008), J. Biomol. Struct. Dyn., 25, 377-385.
    View publication on PubMed

Crystallization (Commentary)

Crystallization (Comment) Organism
binding mode analysis and docking approaches of inhibitors, and comparison between human and Mycobacterium tuberculosis enzyme. Presence of empty spaces around the 2,4-diamonodeazapteridine and N10-phenyl rings of inhibitors in the Mycobacterium tuberculosis enzyme active site that are not found in the human structures Mycobacterium tuberculosis

Inhibitors

Inhibitors Comment Organism Structure
3-([(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]amino)-4-(2,5-dimethoxyethoxy)phenol ratio of IC50 of human to Mycobacterium tuberculosis enzyme 7.6 Mycobacterium tuberculosis
6-([(2,5-dipropoxyphenyl)amino]methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine ratio of IC50 of human to Mycobacterium tuberculosis enzyme 65 Mycobacterium tuberculosis
6-([(2-butoxy-5-ethoxyoxyphenyl)amino]methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine ratio of IC50 of human to Mycobacterium tuberculosis enzyme 2.8 Mycobacterium tuberculosis
6-([(2-butoxy-5-propoxyphenyl)amino]methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine ratio of IC50 of human to Mycobacterium tuberculosis enzyme 19 Mycobacterium tuberculosis
6-([(2-ethoxy-5-butoxyphenyl)amino]methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine ratio of IC50 of human to Mycobacterium tuberculosis enzyme 4.1 Mycobacterium tuberculosis

Organism

Organism UniProt Comment Textmining
Mycobacterium tuberculosis
-
-
-

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.000009
-
-
Mycobacterium tuberculosis 6-([(2-butoxy-5-ethoxyoxyphenyl)amino]methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.000023
-
-
Mycobacterium tuberculosis 6-([(2,5-dipropoxyphenyl)amino]methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.000023
-
-
Mycobacterium tuberculosis 6-([(2-ethoxy-5-butoxyphenyl)amino]methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.000028
-
-
Mycobacterium tuberculosis 6-([(2-butoxy-5-propoxyphenyl)amino]methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.00021
-
-
Mycobacterium tuberculosis 3-([(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]amino)-4-(2,5-dimethoxyethoxy)phenol