Morena Spreafico

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VirtualToxLab - in silico prediction of the toxic (endocrine-disrupting) potential of drugs, chemicals and natural products. Two years and 2,000 compounds of experience: a progress report.

A. Vedani, M. Dobler, M. Smieško, 2009, ALTEX.

Examination of the biological role of the alpha(2-->6)-linked sialic acid in gangliosides binding to the myelin-associated glycoprotein (MAG).

A. Vedani, O. Schwardt, B. Ernst, 2009, Journal of medicinal chemistry.

Probing Small‐Molecule Binding to the Liver‐X Receptor: A Mixed‐Model QSAR Study

Angelo Vedani, Martin Smiesko, Gianluca Rossato, 2010, Molecular informatics.

Design, synthesis, biological evaluation, and modeling of a non-carbohydrate antagonist of the myelin-associated glycoprotein.

A. Vedani, G. Rossato, O. Schwardt, 2010, Bioorganic & medicinal chemistry.

Probing Small‐Molecule Binding to Cytochrome P450 2D6 and 2C9: An In Silico Protocol for Generating Toxicity Alerts

Beat Ernst, Angelo Vedani, Martin Smiesko, 2010, ChemMedChem.

Structural features of diverse ligands influencing binding affinities to Estrogen α and Estrogen β receptors. Part I: molecular descriptors calculated from minimal energy conformation of isolated ligands

E. Benfenati, M. Novič, Morena Spreafico, 2007, Molecular Diversity.

Chapter 3 – Characterization of chemical structures

E. Benfenati, A. Toropov, Morena Spreafico, 2007 .

Design, synthesis and evaluation of monovalent ligands for the asialoglycoprotein receptor (ASGP-R).

A. Vedani, D. Ricklin, O. Schwardt, 2009, Bioorganic & medicinal chemistry.

The mouse eugenol odorant receptor: structural and functional plasticity of a broadly tuned odorant binding pocket.

Torsten Schwede, Lorenza Bordoli, Horst Vogel, 2011, Biochemistry.

Mixed‐Model QSAR at the Glucocorticoid Receptor: Predicting the Binding Mode and Affinity of Psychotropic Drugs

A. Vedani, M. Lill, B. Ernst, 2009, ChemMedChem.

VirtualToxLab TM – In Silico Prediction of the Toxic ( endocrine-disrupting )

A. Vedani, M. Dobler, M. Smieško, 2009 .

VirtualToxLab - in silico prediction of the toxic potential of drugs and environmental chemicals: evaluation status and internet access protocol.

A. Vedani, M. Dobler, M. Smieško, 2007, ALTEX.

In silico prediction of brain exposure: drug free fraction, unbound brain to plasma concentration ratio and equilibrium half-life.

M. Jacobson, Morena Spreafico, 2013, Current topics in medicinal chemistry.

Long-term studies for evaluating the impacts of natural and anthropic stressors on limnological features and the ecosystem quality of Lake Iseo

B. Leoni, Morena Spreafico, V. Nava, 2019 .

Mixed-model QSAR at the human mineralocorticoid receptor: predicting binding mode and affinity of anabolic steroids.

A. Vedani, B. Ernst, M. Smieško, 2009, Toxicology letters.

Structural features of diverse ligands influencing binding affinities to estrogen α and estrogen β receptors. Part II. Molecular descriptors calculated from conformation of the ligands in the complex resulting from previous docking study

Emilio Benfenati, Elena Boriani, Marjana Novič, 2007, Molecular Diversity.

Mixed‐Model QSAR at the Glucocorticoid Receptor: Predicting the Binding Mode and Affinity of Psychotropic Drugs

A. Vedani, M. Lill, B. Ernst, 2009, ChemMedChem.