List of works - Olivier Sperandio

1,2,4-Oxadiazoles identified by virtual screening and their non-covalent inhibition of the human 20S proteasome.

scientific article published in January 2013

A Leap into the Chemical Space of Protein-Protein Interaction Inhibitors ⬇️

scientific article published on January 1, 2012

Aggrecanase-2 inhibitors based on the acylthiosemicarbazide zinc-binding group

scientific article published on 30 August 2013

Chemical libraries dedicated to protein-protein interactions

scientific article

Combining Ligand- and Structure-Based Methods in Drug Design Projects

article

Computational analysis of protein-protein interfaces involving an alpha helix: insights for terphenyl-like molecules binding.

scientific article

Design of protein membrane interaction inhibitors by virtual ligand screening, proof of concept with the C2 domain of factor V

scholarly article

Designing focused chemical libraries enriched in protein-protein interaction inhibitors using machine-learning methods

scientific article

Drug-Like Protein-Protein Interaction Modulators: Challenges and Opportunities for Drug Discovery and Chemical Biology

scientific article published on 2 June 2014

Druggable pockets and binding site centric chemical space: a paradigm shift in drug discovery

scientific article

Editorial: [Hot Topics: Toward the Design of Drugs on Protein-Protein Interactions]

scientific article published on 01 January 2012

FAF-Drugs2: free ADME/tox filtering tool to assist drug discovery and chemical biology projects

scientific article

Free resources to assist structure-based virtual ligand screening experiments

scientific article

How to choose relevant multiple receptor conformations for virtual screening: a test case of Cdk2 and normal mode analysis

article

Identification of Small Inhibitory Molecules Targeting the Bfl-1 Anti-Apoptotic Protein That Alleviates Resistance to ABT-737.

scientific article

Identification of novel small molecule inhibitors of activated protein C.

scientific article

Imbalance in chemical space: How to facilitate the identification of protein-protein interaction inhibitors

scientific article

Imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, substrate-dependent modulators of insulin-degrading enzyme in amyloid-β hydrolysis

scientific article

In Silico ADME/Tox Predictions

In silico design of low molecular weight protein-protein interaction inhibitors: Overall concept and recent advances

scientific article published on 5 March 2015

In silico studies of blood coagulation proteins: from mosaic proteases to nonenzymatic cofactor inhibitors

scientific article published on 18 January 2010

In silico-in vitro screening of protein-protein interactions: towards the next generation of therapeutics

scientific article published on April 2008

Insights into an original pocket-ligand pair classification: a promising tool for ligand profile prediction

scientific article (publication date: 2013)

Ligand efficiency driven design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging, and linking approaches

scientific article

Ligand scaffold hopping combining 3D maximal substructure search and molecular similarity

scientific article published on 11 August 2009

MED-3DMC: a new tool to generate 3D conformation ensembles of small molecules with a Monte Carlo sampling of the conformational space

scientific article

MED-SuMoLig: a new ligand-based screening tool for efficient scaffold hopping

scientific article

New non-hydroxamic ADAMTS-5 inhibitors based on the 1,2,4-triazole-3-thiol scaffold.

scientific article

One hundred thousand mouse clicks down the road: selected online resources supporting drug discovery collected over a decade

scientific article published on 03 July 2013

Privileged Substructures to Modulate Protein-Protein Interactions.

scientific article published on 18 September 2017

Rational design of small molecules targeting the C2 domain of coagulation factor VIII.

scientific article published on 13 November 2013

Rationalizing the chemical space of protein-protein interaction inhibitors

scientific article

Receptor-based computational screening of compound databases: the main docking-scoring engines

scientific article

Sampling of conformational ensemble for virtual screening using molecular dynamics simulations and normal mode analysis

scientific article

Stabilization of protein-protein interaction complexes through small molecules

scientific article published on October 2015

Tensin2 reduces intracellular phosphatidylinositol 3,4,5-trisphosphate levels at the plasma membrane

scientific article published on 3 August 2010

The FAF-Drugs2 server: a multistep engine to prepare electronic chemical compound collections

scientific article

Thymoquinone as an anticancer agent: evidence from inhibition of cancer cells viability and invasion in vitro and tumor growth in vivo

scientific article published on 13 July 2012

Which three-dimensional characteristics make efficient inhibitors of protein-protein interactions?

scientific article published on 17 October 2014

iPPI-DB: a manually curated and interactive database of small non-peptide inhibitors of protein-protein interactions

scientific article published on 17 May 2013

wwLigCSRre: a 3D ligand-based server for hit identification and optimization

scientific article (publication date: July 2009)

List of works by Olivier Sperandio

1,2,4-Oxadiazoles identified by virtual screening and their non-covalent inhibition of the human 20S proteasome.

A Leap into the Chemical Space of Protein-Protein Interaction Inhibitors ⬇️

Aggrecanase-2 inhibitors based on the acylthiosemicarbazide zinc-binding group

Chemical libraries dedicated to protein-protein interactions

Combining Ligand- and Structure-Based Methods in Drug Design Projects

Computational analysis of protein-protein interfaces involving an alpha helix: insights for terphenyl-like molecules binding.

Design of protein membrane interaction inhibitors by virtual ligand screening, proof of concept with the C2 domain of factor V

Designing focused chemical libraries enriched in protein-protein interaction inhibitors using machine-learning methods

Drug-Like Protein-Protein Interaction Modulators: Challenges and Opportunities for Drug Discovery and Chemical Biology

Druggable pockets and binding site centric chemical space: a paradigm shift in drug discovery

Editorial: [Hot Topics: Toward the Design of Drugs on Protein-Protein Interactions]

FAF-Drugs2: free ADME/tox filtering tool to assist drug discovery and chemical biology projects

Free resources to assist structure-based virtual ligand screening experiments

How to choose relevant multiple receptor conformations for virtual screening: a test case of Cdk2 and normal mode analysis

Identification of Small Inhibitory Molecules Targeting the Bfl-1 Anti-Apoptotic Protein That Alleviates Resistance to ABT-737.

Identification of novel small molecule inhibitors of activated protein C.

Imbalance in chemical space: How to facilitate the identification of protein-protein interaction inhibitors

Imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, substrate-dependent modulators of insulin-degrading enzyme in amyloid-β hydrolysis

In Silico ADME/Tox Predictions

In silico design of low molecular weight protein-protein interaction inhibitors: Overall concept and recent advances

In silico studies of blood coagulation proteins: from mosaic proteases to nonenzymatic cofactor inhibitors

In silico-in vitro screening of protein-protein interactions: towards the next generation of therapeutics

Insights into an original pocket-ligand pair classification: a promising tool for ligand profile prediction

Ligand efficiency driven design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging, and linking approaches

Ligand scaffold hopping combining 3D maximal substructure search and molecular similarity

MED-3DMC: a new tool to generate 3D conformation ensembles of small molecules with a Monte Carlo sampling of the conformational space

MED-SuMoLig: a new ligand-based screening tool for efficient scaffold hopping

New non-hydroxamic ADAMTS-5 inhibitors based on the 1,2,4-triazole-3-thiol scaffold.

One hundred thousand mouse clicks down the road: selected online resources supporting drug discovery collected over a decade

Privileged Substructures to Modulate Protein-Protein Interactions.

Rational design of small molecules targeting the C2 domain of coagulation factor VIII.

Rationalizing the chemical space of protein-protein interaction inhibitors

Receptor-based computational screening of compound databases: the main docking-scoring engines

Sampling of conformational ensemble for virtual screening using molecular dynamics simulations and normal mode analysis

Stabilization of protein-protein interaction complexes through small molecules

Tensin2 reduces intracellular phosphatidylinositol 3,4,5-trisphosphate levels at the plasma membrane

The FAF-Drugs2 server: a multistep engine to prepare electronic chemical compound collections

Thymoquinone as an anticancer agent: evidence from inhibition of cancer cells viability and invasion in vitro and tumor growth in vivo

Which three-dimensional characteristics make efficient inhibitors of protein-protein interactions?

iPPI-DB: a manually curated and interactive database of small non-peptide inhibitors of protein-protein interactions

wwLigCSRre: a 3D ligand-based server for hit identification and optimization