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QSAR e Molecular ModellingResearch Topics Design and QSAR analysis of EGFR inhibitors Design and QSAR analysis of MT1 and MT2 melatonin receptor ligands Design and QSAR analysis of histamine H3 receptor antagonists Design and QSAR analysis of small molecules acting as EphA2-receptor modulators Design and QSAR of compounds acting at the Endocannabinoid system: - Fatty Acid Amide Hydrolase (FAAH) inhibitors - Monoglyceride Lipase (MGL) inhibitors - N-acylethanolamine-hydrolyzing acid amidase (NAAA) inhibitors Research Interests Comparative modelling of G protein-coupled receptors and enzymes Enzymatic reaction simulations by hybrid QM/MM approach Free-energy simulations of drug-receptor complexes
Medicinal Chemistry SynthesisDesign and synthesis of irreversible EGFR inhibitors Design and synthesis of histamine H3 receptor antagonists Design and synthesis of EphA2-receptor modulators Design and synthesis of pro-drugs
Pharmaceutical AnalysisEvaluation of chemical and metabolic stability of drugs Structure-metabolism relationships studies Structure-reactivity study of drugs containing cysteine-trapping fragmens Experimental determination of physico-chemical properties of biological compounds Development of analytical methods for drug dosage in biological matrices Determination of antioxidant and neuroprotective properties of compounds
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Managed by Alessio Lodola
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