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List of works by Giuseppe Ermondi

A Fast Chromatographic Method for Estimating Lipophilicity and Ionization in Nonpolar Membrane-Like Environment

article

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

scientific article published on 21 February 2006

An application of two MIFs-based tools (Volsurf+ and Pentacle) to binary QSAR: the case of a palinurin-related data set of non-ATP competitive glycogen synthase kinase 3β (GSK-3β) inhibitors.

scientific article

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

Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).

scientific article published in May 2005

Characterization of the channel constriction allowing the access of the substrate to the active site of yeast oxidosqualene cyclase

scientific article

Classification of α-cyclodextrins inclusion complexes into Type 1 and Type 2: A prelude to logK prediction

scientific article published in January 2007

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

scientific article published on 24 September 2018

Contribution of Ionization and Lipophilicity to Drug Binding to Albumin: A Preliminary Step toward Biodistribution Prediction

scientific article published in July 2004

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

scientific article published in January 2001

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

scientific article

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

scientific article

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

scientific article published on 01 December 1994

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

scientific article published on 28 November 2008

GRIND-based 3D-QSAR to predict inhibitory activity for similar enzymes, OSC and SHC.

scientific article published on 29 September 2007

High throughput methods to measure the propensity of compounds to form intramolecular hydrogen bonding

scientific article published in June 2017

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

How to extend the use of grid-based interaction energy maps from chemistry to biotopics

scientific article

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

scientific article published on 2 April 2018

Influence of Conformation on GRIND-Based Three-Dimensional Quantitative Structure−Activity Relationship (3D-QSAR)

scientific article published in October 2007

Insight into the lipophilicity of the aromatic N-oxide moiety

scientific article published in 1996

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

scientific article published on 19 January 2019

Ionic Partition Diagram of the Zwitterionic Antihistamine Cetirizine

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

scientific article published on December 2004

Learning how to use IAM chromatography for predicting permeability

scientific article published on 3 January 2018

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

scientific article published on 23 July 2012

Lipophilicity behaviour of the Zwitterionic antihistamine cetirizine in phosphatidylcholine liposomes/water systems

scientific article

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

scientific article published on 28 August 2015

Log P as a tool in intramolecular hydrogen bond considerations

scientific article published on 30 March 2018

Mechanisms of liposomes/water partitioning of (p-methylbenzyl)alkylamines

scientific article

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

scientific article published on 17 November 2010

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

scientific article published on 16 November 2010

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

scientific article published on 14 October 2016

Molecular interaction fields based descriptors to interpret and compare chromatographic indexes

scientific article published in August 2012

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

scientific article published on 21 December 2012

Molecular-Dynamics and NMR Investigation of the Property Space of the Zwitterionic Antihistamine Cetirizine

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

scientific article published on July 2015

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

scientific article published in December 1998

On the complexation of Trolox with methyl-β-cyclodextrin: characterization, molecular modelling and photostabilizing properties

article published in 2008

OpenCDLig: a free web application for sharing resources about cyclodextrin/ligand complexes.

scientific article published on 17 June 2009

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

scientific article

Prediction and interpretation of the lipophilicity of small peptides

scientific article published on 11 January 2015

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

scientific article published on 20 April 2015

Pyrazole analogues of prazosin

scientific article published on 01 July 1998

Recognition forces in ligand–protein complexes: Blending information from different sources

scientific article published in December 2006

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

scientific article published on 30 December 2016

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

publication published on 05 January 2021

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

Structure-Property Relationships in the Basicity and Lipophilicity of Arylalkylamine Oxides

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

scientific article published on 14 December 2010

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

scientific article published on 17 December 2013

The relevance of polar surface area (PSA) in rationalizing biological properties of several cis-diamminemalonatoplatinum(II) derivatives

scientific article

Thermolysis of 4-(2-azido-3-nitrophenyl)-1,4-dihydropyridines as source of β-carboline derivatives and some related compounds

Umbelliferone aminoalkyl derivatives as inhibitors of human oxidosqualene-lanosterol cyclase

scientific article published in April 2009

Updating molecular properties during early drug discovery.

scientific article published on 23 November 2016

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

scientific article published on 13 December 2016

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