Pub. Date : 2003 Mar
PMID : 12584150
4 Functional Relationships(s)Download |
Sentence | Compound Name | Protein Name | Organism |
| 1 | Molecular modeling and metabolic studies of the interaction of catechol-O-methyltransferase and a new nitrocatechol inhibitor. | nitrocatechol | catechol-O-methyltransferase | Homo sapiens |
| 2 | 1-(3,4-Dihydroxy-5-nitrophenyl)-2-phenyl-ethanone (BIA 3-202) is a novel nitrocatechol-type inhibitor of COMT, the potential clinical benefit of which is currently being evaluated in the treatment of Parkinson"s disease. | nitrocatechol | catechol-O-methyltransferase | Homo sapiens |
| 3 | Unrestrained flexible-docking simulations suggest that the solution structure of this complex is better described as an ensemble of alternative binding modes, in contrast to the well defined bound configuration revealed by the X-ray structures of related nitrocatechol inhibitors, co-crystallized with COMT. | nitrocatechol | catechol-O-methyltransferase | Homo sapiens |
| 4 | The implications for the general recognition of nitrocatechol-type inhibitors by COMT and the regioselectivity of their metabolic O-methylation are discussed. | nitrocatechol | catechol-O-methyltransferase | Homo sapiens |