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Browsing by Author "Abbate, Vincenzo"
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Evidence-based successful example of a structure-based approach for the prediction of designer fentanyl-like molecules
Floresta, Giuseppe; Catalani, Valeria; Abbate, Vincenzo (2024-12)In 2019, we published three innovative quantitative structure-activity relationship models (QSAR) for predicting the affinity of mu-opioid receptor (µOR) ligands. The three different models were then combined to produce a ... -
In silico studies on recreational drugs: 3D quantitative structure activity relationship prediction of classified and de novo designer benzodiazepines
Catalani, Valeria; Floresta, Giuseppe; Botha, Michelle; Corkery, John Martin; Guirguis, Amira; Vento, Alessandro; Abbate, Vincenzo; Schifano, Fabrizio (2022-07-15)Currently, increasing availability and popularity of designer benzodiazepines (DBZDs) constitutes a primary threat to public health. To assess this threat, the biological activity/potency of DBZDs was investigated using ...