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Discovery of Small Molecules as Membrane-Bound Catechol-O-methyltransferase Inh...

Cruz-Vicente, Pedro; Gonçalves, Ana M.; Ferreira, Octávio; Queiroz, João A.; Silvestre, Samuel; Passarinha, Luís A.; Gallardo, Eugenia

A pharmacophore-based virtual screening methodology was used to discover new catecholO-methyltransferase (COMT) inhibitors with interest in Parkinson’s disease therapy. To do so, pharmacophore models were constructed using the structure of known inhibitors and then they were used in a screening in the ZINCPharmer database to discover hit molecules with the desired structural moieties and drug-likeness propertie...

Date: 2021   |   Origin: Estudo Geral - Universidade de Coimbra
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