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1

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

Samir Attoub, Olivier Sperandio, Haider Raza, Kholoud Arafat, Suhail Al-Salam, Mahmood Ahmed Al Sultan, Maha Al Safi, Takashi Takahashi, Abdu Adem

Journal:

Fundamental & Clinical Pharmacology

Year:

2012

Language:

english

File:

PDF, 528 KB

english, 2012

2

Free Resources to Assist Structure-Based Virtual Ligand Screening Experiments

Bruno O. Villoutreix, Bentham Science Publisher, Nicolas Renault, Bentham Science Publisher, David Lagorce, Bentham Science Publisher, Olivier Sperandio, Bentham Science Publisher, Matthieu Montes, Be

Journal:

Current Protein & Peptide Science

Year:

2007

Language:

english

File:

PDF, 490 KB

english, 2007

3

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

Lucie Maingot, Florence Leroux, Valérie Landry, Julie Dumont, Hideaki Nagase, Bruno Villoutreix, Olivier Sperandio, Rebecca Deprez-Poulain, Benoit Deprez

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2010

Language:

english

File:

PDF, 550 KB

english, 2010

4

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

Olivier Sperandio, Marc Souaille, François Delfaud, Maria A. Miteva, Bruno O. Villoutreix

Journal:

European Journal of Medicinal Chemistry

Year:

2009

Language:

english

File:

PDF, 541 KB

english, 2009

5

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

Olivier Sperandio, Liliane Mouawad, Eulalie Pinto, Bruno O. Villoutreix, David Perahia, Maria A. Miteva

Journal:

European Biophysics Journal

Year:

2010

Language:

english

File:

PDF, 443 KB

english, 2010

6

Rationalizing the chemical space of protein–protein interaction inhibitors

Olivier Sperandio, Christelle H. Reynès, Anne-Claude Camproux, Bruno O. Villoutreix

Journal:

Drug Discovery Today

Year:

2010

Language:

english

File:

PDF, 1.45 MB

english, 2010

7

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

Stéphanie Pérot, Olivier Sperandio, Maria A. Miteva, Anne-Claude Camproux, Bruno O. Villoutreix

Journal:

Drug Discovery Today

Year:

2010

Language:

english

File:

PDF, 741 KB

english, 2010

8

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

Bruno O Villoutreix, Olivier Sperandio

Journal:

Current Opinion in Structural Biology

Year:

2010

Language:

english

File:

PDF, 768 KB

english, 2010

9

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

Flavien Quintus, Olivier Sperandio, Julien Grynberg, Michel Petitjean, Pierre Tuffery

Journal:

BMC Bioinformatics

Year:

2009

Language:

english

File:

PDF, 1.51 MB

english, 2009

10

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

David Lagorce, Olivier Sperandio, Hervé Galons, Maria A Miteva, Bruno O Villoutreix

Journal:

BMC Bioinformatics

Year:

2008

Language:

english

File:

PDF, 365 KB

english, 2008

11

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

Sassan Hafizi, Anna Gustafsson, Cecilia Oslakovic, Olof Idevall-Hagren, Anders Tengholm, Olivier Sperandio, Bruno O. Villoutreix, Björn Dahlbäck

Journal:

Biochemical and Biophysical Research Communications

Year:

2010

Language:

english

File:

PDF, 646 KB

english, 2010

12

Designing Focused Chemical Libraries Enriched in Protein-Protein Interaction Inhibitors using Machine-Learning Methods

Reynès, Christelle, Host, Hélène, Camproux, Anne-Claude, Laconde, Guillaume, Leroux, Florence, Mazars, Anne, Deprez, Benoit, Fahraeus, Robin, Villoutreix, Bruno O., Sperandio, Olivier, Bourne, Philip

Journal:

PLoS Computational Biology

Year:

2010

Language:

english

File:

PDF, 2.75 MB

english, 2010

13

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

Labbé, Céline M., Laconde, Guillaume, Kuenemann, Mélaine A., Villoutreix, Bruno O., Sperandio, Olivier

Journal:

Drug Discovery Today

Year:

2013

Language:

english

File:

PDF, 1.47 MB

english, 2013

14

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

Villoutreix, Bruno O., Lagorce, David, Labbé, Céline M., Sperandio, Olivier, Miteva, Maria A.

Journal:

Drug Discovery Today

Year:

2013

Language:

english

File:

PDF, 508 KB

english, 2013

15

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

Charton, Julie, Gauriot, Marion, Guo, Qing, Hennuyer, Nathalie, Marechal, Xavier, Dumont, Julie, Hamdane, Malika, Pottiez, Virginie, Landry, Valerie, Sperandio, Olivier, Flipo, Marion, Buee, Luc, Stae

Journal:

European Journal of Medicinal Chemistry

Year:

2014

Language:

english

File:

PDF, 1.31 MB

english, 2014

16

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

Maingot, Lucie, Elbakali, Jamal, Dumont, Julie, Bosc, Damien, Cousaert, Nicolas, Urban, Agathe, Deglane, Gaelle, Villoutreix, Bruno, Nagase, Hideaki, Sperandio, Olivier, Leroux, Florence, Deprez, Beno

Journal:

European Journal of Medicinal Chemistry

Year:

2013

Language:

english

File:

PDF, 2.52 MB

english, 2013

17

Which Three-Dimensional Characteristics Make Efficient Inhibitors of Protein–Protein Interactions?

Kuenemann, Mélaine A., Bourbon, Laura M. L., Labbé, Céline M., Villoutreix, Bruno O., Sperandio, Olivier

Journal:

Journal of Chemical Information and Modeling

Year:

2014

Language:

english

File:

PDF, 4.75 MB

english, 2014

18

MED-SuMoLig: A New Ligand-Based Screening Tool for Efficient Scaffold Hopping

Sperandio, Olivier, Andrieu, Olivier, Miteva, Maria A., Vo, Minh-Quang, Souaille, Marc, Delfaud, François, Villoutreix, Bruno O.

Journal:

Journal of Chemical Information and Modeling

Year:

2007

Language:

english

File:

PDF, 675 KB

english, 2007

19

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

Villoutreix, Bruno O., Kuenemann, Melaine A., Poyet, Jean-Luc, Bruzzoni-Giovanelli, Heriberto, Labbé, Céline, Lagorce, David, Sperandio, Olivier, Miteva, Maria A.

Journal:

Molecular Informatics

Year:

2014

Language:

english

File:

PDF, 2.92 MB

english, 2014

20

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

Kuenemann, Mélaine A., Sperandio, Olivier, Labbé, Céline M., Lagorce, David, Miteva, Maria A., Villoutreix, Bruno O.

Journal:

Progress in Biophysics and Molecular Biology

Year:

2015

Language:

english

File:

PDF, 1.78 MB

english, 2015

21

MTiOpenScreen: a web server for structure-based virtual screening

Labbé, Céline M., Rey, Julien, Lagorce, David, Vavruša, Marek, Becot, Jérome, Sperandio, Olivier, Villoutreix, Bruno O., Tufféry, Pierre, Miteva, Maria A.

Journal:

Nucleic Acids Research

Year:

2015

Language:

english

File:

PDF, 1.29 MB

english, 2015

22

Stabilization of protein–protein interaction complexes through small molecules

Zarzycka, Barbara, Kuenemann, Mélaine A., Miteva, Maria A., Nicolaes, Gerry A.F., Vriend, Gert, Sperandio, Olivier

Journal:

Drug Discovery Today

Year:

2015

Language:

english

File:

PDF, 1.55 MB

english, 2015

23

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

Moroy, Gautier, Sperandio, Olivier, Rielland, Shakti, Khemka, Saurabh, Druart, Karen, Goyal, Divij, Perahia, David, Miteva, Maria A

Journal:

Future Medicinal Chemistry

Year:

2015

Language:

english

File:

PDF, 2.89 MB

english, 2015

24

FAF-Drugs3: a web server for compound property calculation and chemical library design

Lagorce, David, Sperandio, Olivier, Baell, Jonathan B., Miteva, Maria A., Villoutreix, Bruno O.

Journal:

Nucleic Acids Research

Year:

2015

Language:

english

File:

PDF, 1.05 MB

english, 2015

25

iPPI-DB: an online database of modulators of protein–protein interactions

Labbé, Céline M., Kuenemann, Mélaine A., Zarzycka, Barbara, Vriend, Gert, Nicolaes, Gerry A.F., Lagorce, David, Miteva, Maria A., Villoutreix, Bruno O., Sperandio, Olivier

Journal:

Nucleic Acids Research

Year:

2016

Language:

english

File:

PDF, 1.92 MB

english, 2016

26

An exploration of the 3D chemical space has highlighted a specific shape profile for the compounds intended to inhibit protein-protein interactions

Kuenemann, Mélaine A, Bourbon, Laura ML, Labbé, Céline M, Villoutreix, Bruno O, Sperandio, Olivier

Journal:

BMC Bioinformatics

Year:

2015

Language:

english

File:

PDF, 267 KB

english, 2015

27

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

Sperandio, Olivier

Journal:

Current Pharmaceutical Design

Year:

2012

Language:

english

File:

PDF, 16 KB

english, 2012

28

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

Kuenemann, Mélaine A., Labbé, Céline M., Cerdan, Adrien H., Sperandio, Olivier

Journal:

Scientific Reports

Year:

2016

Language:

english

File:

PDF, 2.01 MB

english, 2016

29

Privileged substructures to modulate protein-protein interactions

Bosc, Nicolas, Kuenemann, Mélaine A, Bécot, Jérome, Vavrusa, Marek, Cerdan, Adrien H, sperandio, olivier

Journal:

Journal of Chemical Information and Modeling

Year:

2017

Language:

english

File:

PDF, 2.51 MB

english, 2017

30

Insights into an Original Pocket-Ligand Pair Classification: A Promising Tool for Ligand Profile Prediction

Pérot, Stéphanie, Regad, Leslie, Reynès, Christelle, Spérandio, Olivier, Miteva, Maria A., Villoutreix, Bruno O., Camproux, Anne-Claude, Kurgan, Lukasz

Journal:

Year:

2013

Language:

english

File:

PDF, 2.82 MB

english, 2013

31

Les chimiothèques ciblant les interactions protéine-protéine

Sperandio, Olivier, Villoutreix, Bruno O., Morelli, Xavier, Roche, Philippe

Journal:

médecine/sciences

Year:

2015

Language:

french

File:

PDF, 437 KB

french, 2015