Any feedback?
Please rate this page
(literature.php)
(0/150)

BRENDA support

Literature summary extracted from

  • Toprakci, M.; Yelekci, K.
    Docking studies on monoamine oxidase-B inhibitors: estimation of inhibition constants (K(i)) of a series of experimentally tested compounds (2005), Bioorg. Med. Chem. Lett., 15, 4438-4446.
    View publication on PubMed

Inhibitors

EC Number Inhibitors Comment Organism Structure
1.4.3.4 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
1.4.3.4 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
1.4.3.4 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
1.4.3.4 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
1.4.3.4 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
1.4.3.4 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
1.4.3.4 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
1.4.3.4 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
1.4.3.4 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
1.4.3.4 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

EC Number Localization Comment Organism GeneOntology No. Textmining
1.4.3.4 mitochondrial outer membrane
-
 Homo sapiens 5741
-

Organism

EC Number Organism UniProt Comment Textmining
1.4.3.4 Homo sapiens P27338
-
-

Synonyms

EC Number Synonyms Comment Organism
1.4.3.4 MAO-B
-
 Homo sapiens
1.4.3.4 monoamine oxidase-B
-
 Homo sapiens