List of works - Andrea Zaliani

A SARS-CoV-2 cytopathicity dataset generated by high-content screening of a large drug repurposing collection

scientific article

A hybrid approach unveils drug repurposing candidates targeting an Alzheimer pathophysiology mechanism

scientific article published on 26 January 2022

A knowledge-based weighting approach to ligand-based virtual screening

scientific article published on 01 March 2006

A new rational hypothesis for the pharmacophore of the active metabolite of leflunomide, a potent immunosuppressive drug

scientific article published on 01 June 1997

Discovery of Protein-Protein Interaction Inhibitors by Integrating Protein Engineering and Chemical Screening Platforms

scientific article published on 27 July 2020

ErG: 2D pharmacophore descriptions for scaffold hopping

scientific article published in January 2006

FTree query construction for virtual screening: a statistical analysis.

scientific article published on 24 January 2008

Global 3D-QSAR methods: MS-WHIM and autocorrelation

scientific article published on 01 March 2000

Identifying the binding mode of a molecular scaffold.

scientific article

Inhibition of SARS-CoV-2 main protease by allosteric drug-binding

scientific article published on 12 November 2020

MS-WHIM, new 3D theoretical descriptors derived from molecular surface properties: a comparative 3D QSAR study in a series of steroids

scientific article published on 01 January 1997

Mycobacterium tuberculosis chaperonin 10 stimulates bone resorption: a potential contributory factor in Pott's disease.

scientific article

Novel nanomolar imidazo[4,5-b]pyridines as selective nitric oxide synthase (iNOS) inhibitors: SAR and structural insights ⬇️

scientific article published on May 30, 2011

On the art of compiling and using 'drug-like' chemical fragment spaces

scientific article published in October 2008

Prediction of kinase inhibitors cross-reaction on the basis of kinase ATP cavity similarities: a study using PKSIM protein similarity score

scientific article published on 26 March 2008

Rational design of a new C-myristylamido peptide exerting potent and selective PKC inhibitory activity

scientific article published on 01 April 1996

Second-generation de novo design: a view from a medicinal chemist perspective

scientific article published on 27 June 2009

Sequence and structural homologies between M. tuberculosis chaperonin 10 and the MHC class I/II peptide binding cleft

scientific article published on 01 June 1995

Solvation enthalpies as descriptors of structure--in vitro percutaneous permeation relationship of benzoxazinones regioisomers.

scientific article published in August 2000

Synthesis and biological evaluation of novel (4 or 5-aryl)pyrazolyl-indoles as inhibitors of interleukin-2 inducible T-cell kinase (ITK).

scientific article published on 24 April 2010

The antitumor histone deacetylase inhibitor suberoylanilide hydroxamic acid exhibits antiinflammatory properties via suppression of cytokines

scientific article

The interaction of myristylated peptides with the catalytic domain of protein kinase C revealed by their sequence palindromy and the identification of a myristyl binding site

scientific article published on 01 September 1998

X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease

scientific article

List of works by Andrea Zaliani

A SARS-CoV-2 cytopathicity dataset generated by high-content screening of a large drug repurposing collection

A hybrid approach unveils drug repurposing candidates targeting an Alzheimer pathophysiology mechanism

A knowledge-based weighting approach to ligand-based virtual screening

A new rational hypothesis for the pharmacophore of the active metabolite of leflunomide, a potent immunosuppressive drug

Discovery of Protein-Protein Interaction Inhibitors by Integrating Protein Engineering and Chemical Screening Platforms

ErG: 2D pharmacophore descriptions for scaffold hopping

FTree query construction for virtual screening: a statistical analysis.

Global 3D-QSAR methods: MS-WHIM and autocorrelation

Identifying the binding mode of a molecular scaffold.

Inhibition of SARS-CoV-2 main protease by allosteric drug-binding

MS-WHIM, new 3D theoretical descriptors derived from molecular surface properties: a comparative 3D QSAR study in a series of steroids

Mycobacterium tuberculosis chaperonin 10 stimulates bone resorption: a potential contributory factor in Pott's disease.

Novel nanomolar imidazo[4,5-b]pyridines as selective nitric oxide synthase (iNOS) inhibitors: SAR and structural insights ⬇️

On the art of compiling and using 'drug-like' chemical fragment spaces

Prediction of kinase inhibitors cross-reaction on the basis of kinase ATP cavity similarities: a study using PKSIM protein similarity score

Rational design of a new C-myristylamido peptide exerting potent and selective PKC inhibitory activity

Second-generation de novo design: a view from a medicinal chemist perspective

Sequence and structural homologies between M. tuberculosis chaperonin 10 and the MHC class I/II peptide binding cleft

Solvation enthalpies as descriptors of structure--in vitro percutaneous permeation relationship of benzoxazinones regioisomers.

Synthesis and biological evaluation of novel (4 or 5-aryl)pyrazolyl-indoles as inhibitors of interleukin-2 inducible T-cell kinase (ITK).

The antitumor histone deacetylase inhibitor suberoylanilide hydroxamic acid exhibits antiinflammatory properties via suppression of cytokines

The interaction of myristylated peptides with the catalytic domain of protein kinase C revealed by their sequence palindromy and the identification of a myristyl binding site

X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease