G. Ermondi

G. Russo, G. Caron, G. Ermondi, 2020, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

Updating molecular properties during early drug discovery.

G. Caron, G. Ermondi, 2017, Drug discovery today.

The Relevance of Polar Surface Area (PSA) in Rationalizing Biological Properties of Several cis‐Diamminemalonatoplatinum(II) Derivatives

E. Monti, D. Osella, M. Gariboldi, 2009, ChemMedChem.

NMR study of solution structures and dynamics of lanthanide(III) complexes of DOTA

M. Botta, G. Ermondi, S. Aime, 1992 .

GRID/BIOCUBE4mf to rank the influence of mutations on biological processes to design ad hoc mutants

G. Caron, G. Ermondi, C. Rosso, 2015, Medicinal Chemistry Research.

Synthesis, characterization, structure, molecular modeling studies and biological activity of sterically crowded Pt(II) complexes containing bis(imidazole) ligands.

E. Monti, D. Osella, M. Gariboldi, 2011, Journal of inorganic biochemistry.

Relating Caco-2 permeability to molecular properties using block relevance analysis

G. Caron, G. Ermondi, T. Potter, 2015 .

Molecular interaction fields vs. quantum-mechanical-based descriptors in the modelling of lipophilicity of platinum(IV) complexes.

J. Platts, D. Osella, G. Caron, 2013, Dalton transactions.

Novel Contrast Agents for Magnetic Resonance Imaging. Synthesis and Characterization of the Ligand BOPTA and Its Ln(III) Complexes (Ln = Gd, La, Lu). X-ray Structure of Disodium (TPS-9-145337286-C-S)-[4-Carboxy-5,8,11-tris(carboxymethyl)-1-phenyl-2-oxa- 5,8,11-triazatridecan-13-oato(5-)]gadolinate(2

P. Anelli, M. Botta, G. Ermondi, 1995 .

Modeling ErbB2-p130Cas interaction to design new potential anticancer agents

G. Caron, G. Ermondi, E. Turco, 2019, Scientific Reports.

Characterization of the Channel Constriction Allowing the Access of the Substrate to the Active Site of Yeast Oxidosqualene Cyclase

S. Oliaro-Bosso, F. Viola, G. Caron, 2011, PloS one.

Pyrazole analogues of prazosin.

A. Gasco, D. Boschi, G. Ermondi, 1998, Farmaco.

Designing Soluble PROTACs: Strategies and Preliminary Guidelines

G. Caron, G. Ermondi, Daniela Pizzirani, 2022, Journal of medicinal chemistry.

Do surface-based match solution-based techniques? The case of drug-liposome interaction.

G. Caron, G. Ermondi, 2016, International journal of pharmaceutics.

Paramagnetic water proton relaxation enhancement: from contrast agents in MRI to reagents for quantitative "in vitro" assays.

M. Botta, E. Terreno, G. Ermondi, 1992, Magnetic resonance imaging.

Synthesis and NMRD studies of gadolinium(3+) complexes of macrocyclic polyamino polycarboxylic ligands bearing .beta.-benzyloxy-.alpha.-propionic residues

M. Botta, G. Ermondi, S. Aime, 1992 .

Block relevance (BR) analysis and polarity descriptors in property-based drug design

G. Caron, G. Ermondi, 2018, ADMET and DMPK.

Lipophilicity: Chemical Nature and Biological Relevance

G. Caron, G. Ermondi, 2007 .

Structural investigation of Ca 2+ antagonists benzofurazanyl and benzofuroxanyl-1,4-dihydropyridines

R. Fruttero, A. Gasco, D. Boschi, 2000 .

Steering New Drug Discovery Campaigns: Permeability, Solubility, and Physicochemical Properties in the bRo5 Chemical Space.

Vasanthanathan Poongavanam, J. Kihlberg, G. Caron, 2021, ACS medicinal chemistry letters.

Why we need to implement intramolecular hydrogen-bonding considerations in drug discovery.

G. Caron, G. Ermondi, 2017, Future medicinal chemistry.

Furoxans as nitric oxide donors. 4-Phenyl-3-furoxancarbonitrile: thiol-mediated nitric oxide release and biological evaluation.

R. Fruttero, A. Gasco, G. Ermondi, 1994, Journal of medicinal chemistry.

Personalized Treatment for Infantile Ascending Hereditary Spastic Paralysis Based on In Silico Strategies

S. Hadano, G. Caron, G. Ermondi, 2022, Molecules.

Deleterious, protein-altering variants in the X-linked transcriptional coregulator ZMYM3 in 22 individuals with a neurodevelopmental delay phenotype

Antonarakis, Noskova, Meadows, 2022, medRxiv.

Impact of Dynamically Exposed Polarity on Permeability and Solubility of Chameleonic Drugs Beyond the Rule of 5.

Vasanthanathan Poongavanam, J. Kihlberg, G. Caron, 2018, Journal of medicinal chemistry.

Determination of metal–proton distances and electronic relaxation times in lanthanide complexes by nuclear magnetic resonance spectroscopy

M. Botta, G. Ermondi, S. Aime, 1992 .

RELAXOMETRIC, STRUCTURAL, AND DYNAMIC NMR STUDIES OF DOTA-LIKE LN(III) COMPLEXES (LN = LA, GD, HO, YB) CONTAINING A P-NITROPHENYL SUBSTITUENT

P. Anelli, M. Botta, E. Terreno, 1996 .

Refinement of Computational Access to Molecular Physicochemical Properties: From Ro5 to bRo5

G. Caron, G. Ermondi, M. Vallaro, 2022, Journal of medicinal chemistry.

Log P as a tool in intramolecular hydrogen bond considerations.

G. Caron, G. Ermondi, M. Vallaro, 2018, Drug discovery today. Technologies.

Unsymmetrically substituted furoxans. Part 16 . Reaction of benzenesulfonyl substituted furoxans with ethanol and ethanethiol in basic medium

R. Fruttero, A. Gasco, G. Ermondi, 1996 .

New 1,4-dihydropyridines conjugated to furoxanyl moieties, endowed with both nitric oxide-like and calcium channel antagonist vasodilator activities.

C. Cena, A. Gasco, G. Ermondi, 1998, Journal of medicinal chemistry.

Docking studies on NSAID/COX-2 isozyme complexes using Contact Statistics analysis

Giulia Caron, Giuseppe Ermondi, Raelene Lawrence, 2004, J. Comput. Aided Mol. Des..

Benzofurazanyl- and benzofuroxanyl-1,4-dihydropyridines: synthesis, structure and calcium entry blocker activity

R. Fruttero, A. Gasco, G. Ermondi, 1996 .

Flexibility in early drug discovery: focus on the beyond-Rule-of-5 chemical space.

Giulia Caron, Vito Digiesi, Sara Solaro, 2020, Drug discovery today.

Efficient microwave-assisted synthetic protocols and in silico behaviour prediction of per-substituted β-cyclodextrins.

G. Cravotto, K. Martina, G. Ermondi, 2013, Organic & biomolecular chemistry.

Ionic Partition Diagram of the Zwitterionic Antihistamine Cetirizine

H. Girault, G. Bouchard, P. Carrupt, 2001 .

IκBα targeting promotes oxidative stress-dependent cell death

S. Novello, R. Taulli, C. Riganti, 2021, Journal of experimental & clinical cancer research : CR.

Host–guest inclusion systems of Pt(IV)-bis(benzoato) anticancer drug candidates and cyclodextrins

I. Zanellato, D. Osella, G. Caron, 2015 .

A combined in silico strategy to describe the variation of some 3D molecular properties of beta-cyclodextrin due to the formation of inclusion complexes.

G. Caron, G. Ermondi, Claudio Anghilante, 2006, Journal of molecular graphics & modelling.

Benzofurazanyl- and Benzofuroxanyl-1,4-dihydropyridines: Synthesis, Structure and Calcium Entry Blocker Activity.

R. Fruttero, A. Gasco, G. Ermondi, 1996 .

Synthesis and Structural Characterization of the Trimeric Furoxan (= Furazan 2‐Oxide) System, a New Potent Vasodilating Moiety

C. Cena, A. Gasco, G. Ermondi, 1996 .

Unsymmetrically substituted furoxans. XVII. Structural investigations in benzenesulfonylfuroxan derivatives and related compounds

R. Fruttero, A. Gasco, G. Ermondi, 1997 .

Molecular Interaction Fields (MIFs) to Predict Lipophilicity and ADME Profile of Antitumor Pt(II) Complexes

G. Caron, G. Ermondi, M. Ravera, 2011, Pharmaceutical Research.

Molecular and statistical modeling of reduction peak potential and lipophilicity of platinum(IV) complexes

J. Platts, D. Osella, G. Caron, 2011, JBIC Journal of Biological Inorganic Chemistry.

Charged cyclic hexapeptides: Updating molecular descriptors for permeability purposes

G. Caron, G. Ermondi, S. Visentin, 2018, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

Learning how to use IAM chromatography for predicting permeability

G. Caron, G. Ermondi, M. Vallaro, 2018, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

Relationship between Passive Permeability and Molecular Polarity Using Block Relevance Analysis.

M. Shalaeva, G. Caron, G. Ermondi, 2017, Molecular pharmaceutics.

Ionization, lipophilicity, and molecular modeling to investigate permeability and other biological properties of amlodipine.

A. Avdeef, G. Caron, G. Ermondi, 2004, Bioorganic & medicinal chemistry.

Intramolecular hydrogen bonding: An opportunity for improved design in medicinal chemistry

Giulia Caron, Giuseppe Ermondi, Jan Kihlberg, 2019, Medicinal research reviews.

Pt(IV) complexes based on cyclohexanediamines and the histone deacetylase inhibitor 2-(2-propynyl)octanoic acid: synthesis, characterization, cell penetration properties and antitumor activity.

N. Margiotta, V. Gandin, G. Caron, 2021, Dalton transactions.

Updating the portfolio of physicochemical descriptors related to permeability in the Beyond the Rule of 5 chemical space.

M. Shalaeva, G. Caron, G. Ermondi, 2020, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

Deleterious, protein-altering variants in the transcriptional coregulator ZMYM3 in 27 individuals with a neurodevelopmental delay phenotype.

A. Reymond, R. Myers, G. Cooper, 2022, American journal of human genetics.

AI-based protein structure databases have the potential to accelerate rare diseases research: AlphaFoldDB and the case of IAHSP/Alsin.

S. Hadano, G. Caron, G. Ermondi, 2021, Drug discovery today.

Rifampicin as an example of beyond-Rule-of-5 compound: ionization beyond water and lipophilicity beyond octanol/water.

I. Leito, G. Caron, G. Ermondi, 2021, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

Profile of the intermolecular forces governing the interaction of drugs with mucin.

G. Caron, G. Ermondi, S. Visentin, 2015, International journal of pharmaceutics.

Lipophilicity, Polarity, and Hydrophobicity

Giulia Caron, Giuseppe Ermondi, G. Caron, 2007 .

Rational Control of Molecular Properties Is Mandatory to Exploit the Potential of PROTACs as Oral Drugs

G. Caron, G. Ermondi, Diego García Jiménez, 2021, ACS medicinal chemistry letters.

Molecular descriptors for polarity: the need for going beyond polar surface area.

G. Caron, G. Ermondi, 2016, Future medicinal chemistry.

Umbelliferone aminoalkyl derivatives as inhibitors of human oxidosqualene-lanosterol cyclase

S. Oliaro-Bosso, F. Viola, G. Cravotto, 2009 .

Development of molecular hydrogen-bonding potentials (MHBPs) and their application to structure-permeation relations.

P. Carrupt, B. Testa, G. Ermondi, 2001, Journal of molecular graphics & modelling.

Recognition forces in ligand-protein complexes: blending information from different sources.

G. Caron, G. Ermondi, 2006, Biochemical pharmacology.

Conformational Sampling of Macrocyclic Drugs in Different Environments: Can We Find the Relevant Conformations?

Stanislaw Wlodek, Paul C. D. Hawkins, Giulia Caron, 2018, ACS omega.

PROTACs and Building Blocks: The 2D Chemical Space in Very Early Drug Discovery

G. Caron, G. Ermondi, Diego Garcia-Jimenez, 2021, Molecules.

Degraders early developability assessment: face-to-face with molecular properties.

Giulia Caron, Giuseppe Ermondi, Maura Vallaro, 2020, Drug discovery today.

Are we ready to design oral PROTACs®?

G. Caron, G. Ermondi, Diego García Jiménez, 2021, ADMET & DMPK.

Chromatographic HILIC indexes to characterize the lipophilicity of zwitterions.

G. Caron, G. Ermondi, M. Vallaro, 2020, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

Lipophilicity Behaviour of the Zwitterionic Antihistamine Cetirizine in Phosphatidylcholine Liposomes/Water Systems

G. Bouchard, P. Carrupt, B. Testa, 2001, Pharmaceutical Research.

MLR, PLSR‐BR Analysis and MBPLSR to Interpret Multivariate QSPR Models. The Case of a Micellar Liquid Chromatography Descriptor (log KWSDS)

G. Caron, G. Ermondi, 2019, Molecular informatics.

Multivariate analysis applied to Raman mapping of dye-functionalized carbon nanotubes: a novel approach to support the rational design of functional nanostructures.

V. Mussi, G. Viscardi, G. Ermondi, 2015, The Analyst.

Blended-learning for courses in Pharmaceutical Analysis

Giulia Caron, Giuseppe Ermondi, Sonjia Visentin, 2011 .

GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.

Sonja Visentin, Giulia Caron, Giuseppe Ermondi, 2009, European journal of medicinal chemistry.

Ligand-based design, in silico ADME-Tox filtering, synthesis and biological evaluation to discover new soluble 1,4-DHP-based CFTR activators.

N. Pedemonte, L. Galietta, G. Caron, 2012, European journal of medicinal chemistry.

An NMR relaxation study of aqueous solutions of Gd(III) chelates

M. Botta, G. Ermondi, S. Aime, 1991 .

Conformational Sampling Deciphers the Chameleonic Properties of a VHL-Based Degrader

J. Kihlberg, G. Caron, G. Ermondi, 2023, Pharmaceutics.

Chamelogk: A Chromatographic Chameleonicity Quantifier to Design Orally Bioavailable Beyond-Rule-of-5 Drugs

G. Caron, G. Ermondi, M. Vallaro, 2023, Journal of medicinal chemistry.

Managing Experimental 3D Structures in the Beyond‐Rule‐of‐5 Chemical Space: The Case of Rifampicin

G. Tiana, F. Vasile, G. Caron, 2021, Chemistry.

Permeability prediction in the beyond-Rule-of 5 chemical space: focus on cyclic hexapeptides.

G. Caron, G. Ermondi, M. Vallaro, 2021, European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V.

Experimental lipophilicity for beyond Rule of 5 compounds

M. Shalaeva, G. Caron, G. Ermondi, 2019, Future Drug Discovery.

In Silico Tools to Extract the Drug Design Information Content of Degradation Data: The Case of PROTACs Targeting the Androgen Receptor

G. Caron, G. Ermondi, Giulia Apprato, 2023, Molecules.

Solubility prediction in the bRo5 chemical space: where are we right now?

Vasanthanathan Poongavanam, J. Kihlberg, G. Caron, 2020, ADMET & DMPK.

Predicting the Permeability of Macrocycles from Conformational Sampling - Limitations of Molecular Flexibility.

Giulia Caron, Giuseppe Ermondi, Vasanthanathan Poongavanam, 2020, Journal of pharmaceutical sciences.

Competing Interests

F. Viola, G. Caron, G. Ermondi, 2010 .

The Block Relevance (BR) analysis supports the dominating effect of solutes hydrogen bond acidity on ΔlogP(oct-tol).

A. Visconti, G. Caron, G. Ermondi, 2014, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

How to Extend the Use of Grid‐Based Interaction Energy Maps from Chemistry to Biotopics

G. Caron, G. Ermondi, A. Nurisso, 2009, ChemMedChem.

Permeability prediction for zwitterions via chromatographic indexes and classification into 'certain' and 'uncertain'.

M. Shalaeva, G. Caron, G. Ermondi, 2019, Future medicinal chemistry.

The Block Relevance (BR) analysis to aid medicinal chemists to determine and interpret lipophilicity

G. Caron, G. Ermondi, Maura Vallaro, 2013 .

Synthesis, characterization, structure, molecular modeling studies and biological activity of sterically crowded Pt(II) complexes containing bis(imidazole) ligands.

E. Monti, D. Osella, M. Gariboldi, 2011, Journal of inorganic biochemistry.

Lipophilicity of amyloid β-peptide 12-28 and 25-35 to unravel their ability to promote hydrophobic and electrostatic interactions.

G. Caron, G. Ermondi, M. C. Leal, 2015, International journal of pharmaceutics.

Characterization of the new CelerisTM Arginine column: Retentive behaviour through a combination of chemometric tools and potential in drug analysis.

G. Russo, G. Caron, G. Ermondi, 2021, Journal of chromatography. A.

Prediction and interpretation of the lipophilicity of small peptides

Alessia Visconti, Giulia Caron, Giuseppe Ermondi, 2015, Journal of Computer-Aided Molecular Design.

Insight into the Lipophilicity of the Aromatic N-Oxide Moiety

Bernard Testa, Alberto Gasco, Giulia Caron, 1996, Pharmaceutical Research.