Luisa Quesada-Romero

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Many protein kinase (PK) inhibitors have been reported in recent years, but only a few have been approved for clinical use. The understanding of the available molecular information using computational tools is an alternative to contribute to this process. With this in mind, we studied the binding modes of 77 maleimide derivates inside the PK glycogen(More)
The binding modes of 42 oxadiazole derivates inside glycogen synthase kinase 3 beta (GSK3 $$\upbeta )$$ β ) were determined using docking experiments; thus, the preferred active conformations of these inhibitors are proposed. We found that these compounds adopt a scorpion-shaped conformation and they accept a hydrogen bond (HB) from the residue Val135 of(More)
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