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 | UniProt | Comment | Textmining |
---|---|---|---|
Leishmania major | Q01782 | - |
- |
Synonyms | Comment | Organism |
---|---|---|
pteridine reductase 1 | - |
Leishmania major |
PTR1 | - |
Leishmania major |