List of works - Daniele Pala

Amino acid conjugates of lithocholic acid as antagonists of the EphA2 receptor.

scientific article published on 22 March 2013

Atropisomerism and Conformational Equilibria: Impact on PI3Kδ Inhibition of 2-((6-Amino-9H-purin-9-yl)methyl)-5-methyl-3-(o-tolyl)quinazolin-4(3H)-one (IC87114) and Its Conformationally Restricted Analogs

scientific article

Biochemical characterization of EphA2 antagonists with improved physico-chemical properties by cell-based assays and surface plasmon resonance analysis

scientific article published on 10 October 2015

Combining ligand- and structure-based approaches for the discovery of new inhibitors of the EPHA2-ephrin-A1 interaction.

scientific article published on 7 October 2014

Comparative Analysis of Virtual Screening Approaches in the Search for Novel EphA2 Receptor Antagonists.

scientific article published on 17 September 2015

Complex product composition generates risks for generic substitution also with dosage forms for intravenous administration.

scientific article published on 27 April 2013

Correction to Metadynamics Simulations Distinguish Short- and Long-Residence-Time Inhibitors of Cyclin-Dependent Kinase 8.

scientific article published on 2 February 2017

Dibasic biphenyl H3 receptor antagonists: Steric tolerance for a lipophilic side chain.

scientific article published on 20 December 2011

Docking and Virtual Screening Strategies for GPCR Drug Discovery

scientific article published on January 2015

Highly Potent and Selective MT2 Melatonin Receptor Full Agonists from Conformational Analysis of 1-Benzyl-2-acylaminomethyl-tetrahydroquinolines

scientific article published on 3 September 2015

Kinetic analysis and molecular modeling of the inhibition mechanism of roneparstat (SST0001) on human heparanase.

scientific article published on 13 January 2016

MT1-selective melatonin receptor ligands: synthesis, pharmacological evaluation, and molecular dynamics investigation of N-{[(3-O-substituted)anilino]alkyl}amides.

scientific article

Metadynamics Simulations Distinguish Short- and Long-Residence-Time Inhibitors of Cyclin-Dependent Kinase 8.

scientific article published on 12 January 2017

Metadynamics for Perspective Drug Design: Computationally Driven Synthesis of New Protein-Protein Interaction Inhibitors Targeting the EphA2 Receptor.

scientific article published on 22 December 2016

New classes of potent heparanase inhibitors from ligand-based virtual screening

scientific article published on 01 December 2020

Recent advances in the development of melatonin MT(1) and MT(2) receptor agonists.

scientific article published on August 2010

ST7612AA1, a thioacetate-ω(γ-lactam carboxamide) derivative selected from a novel generation of oral HDAC inhibitors

scientific article

Structure-based virtual screening of MT2 melatonin receptor: influence of template choice and structural refinement.

scientific article

Synthesis and characterization of new bivalent agents as melatonin- and histamine H3-ligands

scientific article published on 12 September 2014

Synthesis and structure-activity relationships of amino acid conjugates of cholanic acid as antagonists of the EphA2 receptor.

scientific article published on 21 October 2013

Synthesis of (E)-8-(3-chlorostyryl)caffeine analogues leading to 9-deazaxanthine derivatives as dual A(2A) antagonists/MAO-B inhibitors.

scientific article published on 16 January 2013

Synthesis, structure and inhibitory activity of a stereoisomer of oseltamivir carboxylate

scientific article

Target hopping as a useful tool for the identification of novel EphA2 protein-protein antagonists.

scientific article published on 20 September 2013

Therapeutic uses of melatonin and melatonin derivatives: a patent review (2012 - 2014).

scientific article

Toward the definition of stereochemical requirements for MT2-selective antagonists and partial agonists by studying 4-phenyl-2-propionamidotetralin derivatives

scientific article published on 18 November 2011

Towards the development of 5-HT7 ligands combining serotonin-like and arylpiperazine moieties

scientific article published on 13 April 2014

UniPR129 is a competitive small molecule Eph-ephrin antagonist blocking in vitro angiogenesis at low micromolar concentrations.

scientific article

Δ(5)-Cholenoyl-amino acids as selective and orally available antagonists of the Eph-ephrin system

scientific article published on 29 August 2015

List of works by Daniele Pala

Amino acid conjugates of lithocholic acid as antagonists of the EphA2 receptor.

Atropisomerism and Conformational Equilibria: Impact on PI3Kδ Inhibition of 2-((6-Amino-9H-purin-9-yl)methyl)-5-methyl-3-(o-tolyl)quinazolin-4(3H)-one (IC87114) and Its Conformationally Restricted Analogs

Biochemical characterization of EphA2 antagonists with improved physico-chemical properties by cell-based assays and surface plasmon resonance analysis

Combining ligand- and structure-based approaches for the discovery of new inhibitors of the EPHA2-ephrin-A1 interaction.

Comparative Analysis of Virtual Screening Approaches in the Search for Novel EphA2 Receptor Antagonists.

Complex product composition generates risks for generic substitution also with dosage forms for intravenous administration.

Correction to Metadynamics Simulations Distinguish Short- and Long-Residence-Time Inhibitors of Cyclin-Dependent Kinase 8.

Dibasic biphenyl H3 receptor antagonists: Steric tolerance for a lipophilic side chain.

Docking and Virtual Screening Strategies for GPCR Drug Discovery

Highly Potent and Selective MT2 Melatonin Receptor Full Agonists from Conformational Analysis of 1-Benzyl-2-acylaminomethyl-tetrahydroquinolines

Kinetic analysis and molecular modeling of the inhibition mechanism of roneparstat (SST0001) on human heparanase.

MT1-selective melatonin receptor ligands: synthesis, pharmacological evaluation, and molecular dynamics investigation of N-{[(3-O-substituted)anilino]alkyl}amides.

Metadynamics Simulations Distinguish Short- and Long-Residence-Time Inhibitors of Cyclin-Dependent Kinase 8.

Metadynamics for Perspective Drug Design: Computationally Driven Synthesis of New Protein-Protein Interaction Inhibitors Targeting the EphA2 Receptor.

New classes of potent heparanase inhibitors from ligand-based virtual screening

Recent advances in the development of melatonin MT(1) and MT(2) receptor agonists.

ST7612AA1, a thioacetate-ω(γ-lactam carboxamide) derivative selected from a novel generation of oral HDAC inhibitors

Structure-based virtual screening of MT2 melatonin receptor: influence of template choice and structural refinement.

Synthesis and characterization of new bivalent agents as melatonin- and histamine H3-ligands

Synthesis and structure-activity relationships of amino acid conjugates of cholanic acid as antagonists of the EphA2 receptor.

Synthesis of (E)-8-(3-chlorostyryl)caffeine analogues leading to 9-deazaxanthine derivatives as dual A(2A) antagonists/MAO-B inhibitors.

Synthesis, structure and inhibitory activity of a stereoisomer of oseltamivir carboxylate

Target hopping as a useful tool for the identification of novel EphA2 protein-protein antagonists.

Therapeutic uses of melatonin and melatonin derivatives: a patent review (2012 - 2014).

Toward the definition of stereochemical requirements for MT2-selective antagonists and partial agonists by studying 4-phenyl-2-propionamidotetralin derivatives

Towards the development of 5-HT7 ligands combining serotonin-like and arylpiperazine moieties

UniPR129 is a competitive small molecule Eph-ephrin antagonist blocking in vitro angiogenesis at low micromolar concentrations.

Δ(5)-Cholenoyl-amino acids as selective and orally available antagonists of the Eph-ephrin system