Molecular Docking Evaluation of (E)-5-arylidene-2-thioxothiazolidin-4-one Derivatives as Selective Bacterial Adenylate Kinase Inhibitors.
Molecules
; 23(5)2018 May 03.
Article
em En
| MEDLINE
| ID: mdl-29751552
ABSTRACT
Multi-drug resistant microorganism infections with emerging problems that require not only a prevention strategy, but also the development of new inhibitory compounds. Six previously synthesized 5-arylidene-2-thioxothiazolidin-4-one derivatives 1aâ»f, were screened for inhibitory activity on adenylate kinases of different origins by molecular docking. The compounds 1c and 1d were the most efficient inhibitors of bacterial and some archean adenylate kinases. Hydrogen bond interactions were observed with the residues belonging to the ATP binding site. Moreover human adenylate kinases are poor targets, suggesting that this selectivity offers promising prospectives for refining the structure of our compounds.
Palavras-chave
Texto completo:
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Base de dados:
MEDLINE
Assunto principal:
Adenilato Quinase
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Inibidores Enzimáticos
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Tiazolidinas
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Simulação de Acoplamento Molecular
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Antibacterianos
Limite:
Humans
Idioma:
En
Ano de publicação:
2018
Tipo de documento:
Article