Computational insights into the known inhibitors of human soluble epoxide hydrolase.
Drug Discov Today
; 26(8): 1914-1921, 2021 08.
Article
em En
| MEDLINE
| ID: mdl-34082135
ABSTRACT
Human soluble epoxide hydrolase (hsEH) is involved in the hydrolysis of epoxyeicosatrienoic acids (EETs), which have potent anti-inflammatory properties. Given that EET conversion generates nonbioactive molecules, inhibition of this enzyme would be beneficial. Past decades of work on hsEH inhibitors resulted in numerous potential compounds, of which a hundred hsEH-ligand complexes were crystallized and deposited in the Protein Data Bank (PDB). We analyzed all deposited hsEH-ligand complexes to gain insight into the binding of inhibitors and to provide feedback on the future drug design processes. We also reviewed computationally driven strategies that were used to propose novel hsEH inhibitors.
Palavras-chave
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Desenho de Fármacos
/
Epóxido Hidrolases
/
Anti-Inflamatórios
Limite:
Humans
Idioma:
En
Revista:
Drug Discov Today
Ano de publicação:
2021
Tipo de documento:
Article