Inhibitors | Comment | Organism | Structure |
---|---|---|---|
1,4-diphenyl-1,3-butadiene | the experimentally tested model compound is docked computationally to the active site of the MAO-B enzyme. The AutoDock 3.0.5 program is employed to perform automated molecular docking. The free energies of binding and inhibition constants (Ki) of the docked compounds are calculated by the Lamarckian Genetic Algorithm of AutoDock 3.0.5. Excellent to good correlations between the calculated and experimental Ki values are obtained | Homo sapiens | |
3-methyl-8-(4,4,4-trifluoro-butoxy)indeno[1.2-c]pyridazin-5-one | the experimentally tested model compound is docked computationally to the active site of the MAO-B enzyme. The AutoDock 3.0.5 program is employed to perform automated molecular docking. The free energies of binding and inhibition constants (Ki) of the docked compounds are calculated by the Lamarckian Genetic Algorithm of AutoDock 3.0.5. Excellent to good correlations between the calculated and experimental Ki values are obtained | Homo sapiens | |
6-hydroxy-N-propargyl-1(R)-aminoindan | the experimentally tested model compound is docked computationally to the active site of the MAO-B enzyme. The AutoDock 3.0.5 program is employed to perform automated molecular docking. The free energies of binding and inhibition constants (Ki) of the docked compounds are calculated by the Lamarckian Genetic Algorithm of AutoDock 3.0.5. Excellent to good correlations between the calculated and experimental Ki values are obtained | Homo sapiens | |
8-(3-chlorostrylyl)caffeine | the experimentally tested model compound is docked computationally to the active site of the MAO-B enzyme. The AutoDock 3.0.5 program is employed to perform automated molecular docking. The free energies of binding and inhibition constants (Ki) of the docked compounds are calculated by the Lamarckian Genetic Algorithm of AutoDock 3.0.5. Excellent to good correlations between the calculated and experimental Ki values are obtained | Homo sapiens | |
indol -2,3-dione | the experimentally tested model compound is docked computationally to the active site of the MAO-B enzyme. The AutoDock 3.0.5 program is employed to perform automated molecular docking. The free energies of binding and inhibition constants (Ki) of the docked compounds are calculated by the Lamarckian Genetic Algorithm of AutoDock 3.0.5. Excellent to good correlations between the calculated and experimental Ki values are obtained | Homo sapiens | |
lazabemide | the experimentally tested model compound is docked computationally to the active site of the MAO-B enzyme. The AutoDock 3.0.5 program is employed to perform automated molecular docking. The free energies of binding and inhibition constants (Ki) of the docked compounds are calculated by the Lamarckian Genetic Algorithm of AutoDock 3.0.5. Excellent to good correlations between the calculated and experimental Ki values are obtained | Homo sapiens | |
N-methyl-N-propargyl-1(R)-aminoindan | the experimentally tested model compound is docked computationally to the active site of the MAO-B enzyme. The AutoDock 3.0.5 program is employed to perform automated molecular docking. The free energies of binding and inhibition constants (Ki) of the docked compounds are calculated by the Lamarckian Genetic Algorithm of AutoDock 3.0.5. Excellent to good correlations between the calculated and experimental Ki values are obtained | Homo sapiens | |
N-propargyl-1(R)-aminoindan | the experimentally tested model compound is docked computationally to the active site of the MAO-B enzyme. The AutoDock 3.0.5 program is employed to perform automated molecular docking. The free energies of binding and inhibition constants (Ki) of the docked compounds are calculated by the Lamarckian Genetic Algorithm of AutoDock 3.0.5. Excellent to good correlations between the calculated and experimental Ki values are obtained | Homo sapiens | |
Pargyline | the experimentally tested model compound is docked computationally to the active site of the MAO-B enzyme. The AutoDock 3.0.5 program is employed to perform automated molecular docking. The free energies of binding and inhibition constants (Ki) of the docked compounds are calculated by the Lamarckian Genetic Algorithm of AutoDock 3.0.5. Excellent to good correlations between the calculated and experimental Ki values are obtained | Homo sapiens | |
selegiline | the experimentally tested model compound is docked computationally to the active site of the MAO-B enzyme. The AutoDock 3.0.5 program is employed to perform automated molecular docking. The free energies of binding and inhibition constants (Ki) of the docked compounds are calculated by the Lamarckian Genetic Algorithm of AutoDock 3.0.5. Excellent to good correlations between the calculated and experimental Ki values are obtained | Homo sapiens |
Localization | Comment | Organism | GeneOntology No. | Textmining |
---|---|---|---|---|
mitochondrial outer membrane | - |
Homo sapiens | 5741 | - |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | P27338 | - |
- |
Synonyms | Comment | Organism |
---|---|---|
MAO-B | - |
Homo sapiens |
monoamine oxidase-B | - |
Homo sapiens |