show Molecular modeling and molecular dynamics studies of hydralazine with human DNA methyltransferase 1
Singh, N.; Duenas-Gonzalez, A.; Lyko, F.; Medina-Franco, J.L.; ChemMedChem 4, 792-799 (2009)
Data extracted from this reference:
Application
EC Number
Application
Commentary
Organism
2.1.1.37
drug development
Dnmt inhibition is a promising strategy for the treatment of various developmental and proliferative diseases, particularly cancers
Homo sapiens
Inhibitors
EC Number
Inhibitors
Commentary
Organism
Structure
2.1.1.37
2'-dC
binding modelling, overview
Homo sapiens
2.1.1.37
2'-deoxy-5-aza-cytidine
binding modelling, overview
Homo sapiens
2.1.1.37
5-azacytidine
binding modelling, overview
Homo sapiens
2.1.1.37
decitabine
binding modelling, overview
Homo sapiens
2.1.1.37
hydralazine
binding modelling, overview
Homo sapiens
2.1.1.37
additional information
inhibitor screening by molecular docking and molecular dynamics simulations
Homo sapiens
2.1.1.37
procainamide
binding modelling, overview
Homo sapiens
2.1.1.37
procaine
binding modelling, overview
Homo sapiens
Localization
EC Number
Localization
Commentary
Organism
GeneOntology No.
Textmining
2.1.1.37
nucleus
-
Homo sapiens
5634
-
Natural Substrates/ Products (Substrates)
EC Number
Natural Substrates
Organism
Commentary (Nat. Sub.)
Natural Products
Commentary (Nat. Pro.)
Organism (Nat. Pro.)
Reversibility
2.1.1.37
DNA + S-adenosyl-L-methionine
Homo sapiens
-
DNA containing 5-methylcytosine + S-adenosyl-L-homocysteine
-
-
?
Organism
EC Number
Organism
Primary Accession No. (UniProt)
Commentary
Textmining
2.1.1.37
Homo sapiens
-
-
-
Reaction
EC Number
Reaction
Commentary
Organism
2.1.1.37
S-adenosyl-L-methionine + DNA containing cytosine = S-adenosyl-L-homocysteine + DNA containing 5-methylcytosine
catalytic reaction mechanism of Dnmt1, overview
Homo sapiens
Substrates and Products (Substrate)
EC Number
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
2.1.1.37
DNA + S-adenosyl-L-methionine
-
703228
Homo sapiens
DNA containing 5-methylcytosine + S-adenosyl-L-homocysteine
-
-
-
?
2.1.1.37
additional information
homology docking and molecular dynamics, overview
703228
Homo sapiens
?
-
-
-
-
Subunits
EC Number
Subunits
Commentary
Organism
2.1.1.37
More
homology model for DNMT1 based on the template structures of the available comparable protein crystal structures, molecular dynamics, overview
Homo sapiens
Cofactor
EC Number
Cofactor
Commentary
Organism
Structure
2.1.1.37
S-adenosyl-L-methionine
-
Homo sapiens
Application (protein specific)
EC Number
Application
Commentary
Organism
2.1.1.37
drug development
Dnmt inhibition is a promising strategy for the treatment of various developmental and proliferative diseases, particularly cancers
Homo sapiens
Cofactor (protein specific)
EC Number
Cofactor
Commentary
Organism
Structure
2.1.1.37
S-adenosyl-L-methionine
-
Homo sapiens
Inhibitors (protein specific)
EC Number
Inhibitors
Commentary
Organism
Structure
2.1.1.37
2'-dC
binding modelling, overview
Homo sapiens
2.1.1.37
2'-deoxy-5-aza-cytidine
binding modelling, overview
Homo sapiens
2.1.1.37
5-azacytidine
binding modelling, overview
Homo sapiens
2.1.1.37
decitabine
binding modelling, overview
Homo sapiens
2.1.1.37
hydralazine
binding modelling, overview
Homo sapiens
2.1.1.37
additional information
inhibitor screening by molecular docking and molecular dynamics simulations
Homo sapiens
2.1.1.37
procainamide
binding modelling, overview
Homo sapiens
2.1.1.37
procaine
binding modelling, overview
Homo sapiens
Localization (protein specific)
EC Number
Localization
Commentary
Organism
GeneOntology No.
Textmining
2.1.1.37
nucleus
-
Homo sapiens
5634
-
Natural Substrates/ Products (Substrates) (protein specific)
EC Number
Natural Substrates
Organism
Commentary (Nat. Sub.)
Natural Products
Commentary (Nat. Pro.)
Organism (Nat. Pro.)
Reversibility
2.1.1.37
DNA + S-adenosyl-L-methionine
Homo sapiens
-
DNA containing 5-methylcytosine + S-adenosyl-L-homocysteine
-
-
?
Substrates and Products (Substrate) (protein specific)
EC Number
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
2.1.1.37
DNA + S-adenosyl-L-methionine
-
703228
Homo sapiens
DNA containing 5-methylcytosine + S-adenosyl-L-homocysteine
-
-
-
?
2.1.1.37
additional information
homology docking and molecular dynamics, overview
703228
Homo sapiens
?
-
-
-
-
Subunits (protein specific)
EC Number
Subunits
Commentary
Organism
2.1.1.37
More
homology model for DNMT1 based on the template structures of the available comparable protein crystal structures, molecular dynamics, overview
Homo sapiens