Investigation of metabolite-protein interactions by transient absorption spectroscopy and in silico methods

Protein Binding of Lapatinib and Its N- and O-Dealkylated Metabolites Interrogated by Fluorescence, Ultrafast Spectroscopy and Molecular Dynamics Simulations

“…This can be accomplished by different pathways, including noncovalent interactions of drugs with immune receptors or covalent binding of drugs to a protein, producing haptenprotein conjugates, which can induce an immune response. It is noteworthy that sometimes the drug itself does not participate in the key event but instead a reactive metabolite or a photoactivated species becomes covalently bound to the protein and generates the allergic process (Nuin et al, 2016;Limones-Herrero et al, 2020). In this context, photoallergic reactions are related to immunological mechanisms, in which the photoactivated drug (photosensitizer) is the key chemical entity capable to interact with proteins (Andreu et al, 2010).…”