Investigating Perampanel Antiepileptic Drug by DFT Calculations and SERS with Custom Spinning Cell.
Molecules
; 28(16)2023 Aug 09.
Article
em En
| MEDLINE
| ID: mdl-37630222
ABSTRACT
SERS, a clinical practice where medical doctors can monitor the drug concentration in biological fluids, has been proposed as a viable approach to therapeutic drug monitoring (TDM) of the antiepileptic drug Perampanel. The adoption of an acidic environment during the SERS experiments was found to be effective in enhancing the spectroscopic signal. In this work, we combine SERS experiments, conducted with a custom spinning cell in controlled acidic conditions, with DFT calculations aimed at investigating the possible protonated forms of Perampanel. The DFT-simulated Raman spectra of protonated Perampanel accounts for most of the observed SERS signals, thus explaining the effective role of protonation of the analyte. Our results suggest protonation as a viable approach to fostering SERS of alkaline drugs.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Anticonvulsivantes
/
Nitrilas
Idioma:
En
Revista:
Molecules
Assunto da revista:
BIOLOGIA
Ano de publicação:
2023
Tipo de documento:
Article
País de afiliação:
Itália