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Literature summary for 1.5.1.33 extracted from

  • Phadke, S.; Somani, R.; Pathak, D.
    New benzimidazole derivatives as inhibitors of Pteridine reductase 1 design, molecular docking study and ADMET prediction (2020), J. Appl. Pharm. Sci., 10, 30-39 .
No PubMed abstract available

Inhibitors

Inhibitors Comment Organism Structure
([5-[(1H-benzimidazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl)acetic acid
-
Leishmania major
([5-[(1H-benzimidazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl)acetic acid
-
Leishmania major
([5-[(6-nitro-1H-benzimidazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl)acetic acid
-
Leishmania major
([5-[(6-nitro-1H-benzimidazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl)acetic acid
-
Leishmania major
5-[(1H-benzimidazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine
-
Leishmania major
5-[(1H-benzimidazol-2-yl)methyl]-1,3,4-oxadiazole-2-thiol
-
Leishmania major
5-[(1H-benzimidazol-2-yl)methyl]-4H-1,2,4-triazol-3-amine
-
Leishmania major
5-[(1H-benzimidazol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
-
Leishmania major
5-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1,3,4-oxadiazole-2-thiol
-
Leishmania major
5-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
-
Leishmania major
5-[(6-nitro-1H-benzimidazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine
-
Leishmania major
5-[(6-nitro-1H-benzimidazol-2-yl)methyl]-1,3,4-oxadiazole-2-thiol
-
Leishmania major
5-[(6-nitro-1H-benzimidazol-2-yl)methyl]-4H-1,2,4-triazol-3-amine
-
Leishmania major
5-[(6-nitro-1H-benzimidazol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
-
Leishmania major
additional information design, docking, and absorption, distribution, metabolism, excretion, and toxicity (ADMET) prediction studies of 2-substituted-5-[(6-substituted-1H-benzimidazol-2yl)methyl]azole derivatives as PTR1 inhibitors. Molecular docking studies using the enzyme crystal structure (PDB ID 1E92) and detailed interaction analysis of compounds with the enzyme, overview. All compounds follow Lipinski's rule of five and can be considered as good oral candidates Leishmania major

Organism

Organism UniProt Comment Textmining
Leishmania major Q01782
-
-

Synonyms

Synonyms Comment Organism
pteridine reductase 1
-
Leishmania major
PTR1
-
Leishmania major