Docking analysis targeted to the whole enzyme: an application to the prediction of inhibition of PTP1B by thiomorpholine and thiazolyl derivatives.

Ganou, C A; Eleftheriou, P Th; Theodosis-Nobelos, P; Fesatidou, M; Geronikaki, A A; Lialiaris, T; Rekka, E A

Ganou, C A; Eleftheriou, P Th; Theodosis-Nobelos, P; Fesatidou, M; Geronikaki, A A; Lialiaris, T; Rekka, E A.

Ganou CA; a Department of Medical Laboratory Studies, School of Health and Medical Care , Alexander Technological Educational Institute of Thessaloniki , Thessaloniki , Greece.
Eleftheriou PT; a Department of Medical Laboratory Studies, School of Health and Medical Care , Alexander Technological Educational Institute of Thessaloniki , Thessaloniki , Greece.
Theodosis-Nobelos P; b Department of Medicinal Chemistry, School of Pharmacy , Aristotle University of Thessaloniki , Thessaloniki , Greece.
Fesatidou M; b Department of Medicinal Chemistry, School of Pharmacy , Aristotle University of Thessaloniki , Thessaloniki , Greece.
Geronikaki AA; b Department of Medicinal Chemistry, School of Pharmacy , Aristotle University of Thessaloniki , Thessaloniki , Greece.
Lialiaris T; c School of Medicine , Democritus University of Thrace , Alexandroupolis , Greece.
Rekka EA; b Department of Medicinal Chemistry, School of Pharmacy , Aristotle University of Thessaloniki , Thessaloniki , Greece.

SAR QSAR Environ Res ; 29(2): 133-149, 2018 Feb.

Article en En | MEDLINE | ID: mdl-29347844

Asunto(s)

Inhibidores Enzimáticos/química; Simulación del Acoplamiento Molecular; Morfolinas/química; Proteína Tirosina Fosfatasa no Receptora Tipo 1/antagonistas & inhibidores; Proteína Tirosina Fosfatasa no Receptora Tipo 1/química; Tiazoles/química; Activación Enzimática/efectos de los fármacos; Inhibidores Enzimáticos/farmacología; Humanos; Relación Estructura-Actividad Cuantitativa; Proteínas Recombinantes/metabolismo

Palabras clave

PTP1b inhibitors; active site; allosteric site; competitive inhibitors; diabetes, selectivity, TC-PTP; docking analysis; docking box; thiazoles; thiomorpholines; uncompetitive inhibitors

Texto completo

Imprimir

XML

PubMed Links

Search on Google

Texto completo: 1 Banco de datos: MEDLINE Asunto principal: Tiazoles / Morfolinas / Inhibidores Enzimáticos / Proteína Tirosina Fosfatasa no Receptora Tipo 1 / Simulación del Acoplamiento Molecular Tipo de estudio: Prognostic_studies / Risk_factors_studies Límite: Humans Idioma: En Año: 2018 Tipo del documento: Article

Texto completo

Imprimir

XML

PubMed Links

Search on Google