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Listar por palabra clave "Molecular dynamics simulations"

Mostrando ítems 1-3 de 3

Characterization of Locally Excited and Charge-Transfer States of the Anticancer Drug Lapatinib by Ultrafast Spectroscopy and Computational Studies

Vayá Pérez, Ignacio; Andreu Ros, María Inmaculada; Lence, Emilio; González-Bello, Concepción; Cuquerella Alabort, Maria Consuelo; Navarrete-Miguel, Miriam; Roca-Sanjuán, Daniel; Miranda Alonso, Miguel Ángel (John Wiley & Sons, 2020-12-04)

[EN] Lapatinib (LAP) is an anticancer drug, which is metabolized to theN- and O-dealkylated products (N-LAP andO-LAP, respectively). In view of the photosensitizing potential of related drugs, a complete experimental and ...
Investigation of metabolite-protein interactions by transient absorption spectroscopy and in silico methods

Limones Herrero, Daniel; Palumbo, Fabrizio; Vendrell Criado, Victoria; Andreu Ros, María Inmaculada; Lence, Emilio; González-Bello, Concepción; Miranda Alonso, Miguel Ángel; Jiménez Molero, María Consuelo (Elsevier, 2020-02-05)

[EN] Transient absorption spectroscopy in combination with in silico methods has been employed to study the interactions between human serum albumin (HSA) and the anti-psychotic agent chlorpromazine (CPZ) as well as its ...
Protein binding of lapatinib and its N- and O-dealkylated metabolites interrogated by fluorescence, ultrafast spectroscopy and molecular dynamics simulations

Andreu Ros, María Inmaculada; Lence, Emilio; González-Bello, Concepción; Mayorga, Cristobalina; Cuquerella Alabort, Maria Consuelo; Vayá Pérez, Ignacio; Miranda Alonso, Miguel Ángel (Frontiers Media SA, 2020-10-30)

[EN] Lapatinib (LAP) is an anticancer drug generally used to treat breast and lung cancer. It exhibits hypersensitivity reactions in addition to dermatological adverse effects and photosensitivity. Moreover, LAP binds to ...

Mostrando ítems 1-3 de 3

Listar por palabra clave "Molecular dynamics simulations"

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Listar por palabra clave "Molecular dynamics simulations"