Targeting ERK-MYD88 interaction leads to ERK dysregulation and immunogenic cancer cell death

Authors: François Virard, Stéphane Giraud, Mélanie Bonnet, Léa Magadoux, Laetitia Martin, Thuy Ha Pham, Najwa Skafi, Sophie Deneuve, Rita Frem, Bruno O. Villoutreix, Nawal Hajj Sleiman, Jonathan Reboulet, Samir Merabet, Vincent Chaptal, Cédric Chaveroux, Nader Hussein, Nicolas Aznar, Tanguy Fenouil, Isabelle Treilleux, Pierre Saintigny, Stéphane Ansieau, Serge Manié, Serge Lebecque, Toufic Renno, Isabelle Coste

Source: Nature Communications, Vol 15, Iss 1, Pp 1-16 (2024)

Subject Terms: Science

File Description: electronic resource

Relation: https://doaj.org/toc/2041-1723

Access URL: https://doaj.org/article/5f91f695de8442caa6ead3b1243c6294

Editorial: Drug discovery and development explained: introductory notes for the general public

Authors: Bruno O. Villoutreix, Jean-Luc Poyet, Katya Tsaioun

Source: Frontiers in Drug Discovery, Vol 4 (2024)

Subject Terms: small molecules, peptides, antibody, therapeutic agents, animal model, drug discovery, Therapeutics. Pharmacology, RM1-950

File Description: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fddsv.2024.1528467/full; https://doaj.org/toc/2674-0338

Access URL: https://doaj.org/article/490d623105a943858d6b083bcf331553

Sulconazole inhibits PD-1 expression in immune cells and cancer cells malignant phenotype through NF-κB and calcium activity repression

Authors: Simon Pernot, Mercedes Tomé, Isabel Galeano-Otero, Serge Evrard, Iker Badiola, Frederic Delom, Delphine Fessart, Tarik Smani, Geraldine Siegfried, Bruno O. Villoutreix, Abdel-Majid Khatib

Source: Frontiers in Immunology, Vol 14 (2024)

Subject Terms: PD-1, Jurkat T cells, PBMCs, NF-κB, calcium, cancer, Immunologic diseases. Allergy, RC581-607

File Description: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fimmu.2023.1278630/full; https://doaj.org/toc/1664-3224

Access URL: https://doaj.org/article/90571bd8e03445089bd4c69afb1017e6

Biallelic variants in NOS3 and GUCY1A3, the two major genes of the nitric oxide pathway, cause moyamoya cerebral angiopathy

Authors: Stéphanie Guey, Dominique Hervé, Manoëlle Kossorotoff, Guillaume Ha, Chaker Aloui, Françoise Bergametti, Minh Arnould, Hind Guenou, Jessica Hadjadj, Fanny Dubois Teklali, Florence Riant, Jean-Luc Balligand, Georges Uzan, Bruno O. Villoutreix, Elisabeth Tournier-Lasserve

Source: Human Genomics, Vol 17, Iss 1, Pp 1-15 (2023)

Subject Terms: Moyamoya, Stroke, Nitric oxide, Soluble guanylate cyclase, Nitric oxide synthase, Medicine, Genetics, QH426-470

File Description: electronic resource

Relation: https://doaj.org/toc/1479-7364

Access URL: https://doaj.org/article/6cabf2f8d5794295b9752b231297c26a

Drug discovery and development: introduction to the general public and patient groups

Authors: Natesh Singh, Philippe Vayer, Shivalika Tanwar, Jean-Luc Poyet, Katya Tsaioun, Bruno O. Villoutreix

Source: Frontiers in Drug Discovery, Vol 3 (2023)

Subject Terms: drug discovery, drug development, therapeutic agent, biologics, small molecules, artificial intelligence (AI), Therapeutics. Pharmacology, RM1-950

File Description: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fddsv.2023.1201419/full; https://doaj.org/toc/2674-0338

Access URL: https://doaj.org/article/6f2a514b24314b60a120d3a18a156d8f

The first laminin G-like domain of protein S is essential for binding and activation of Tyro3 receptor and intracellular signalling

Authors: Nour Al Kafri, Josefin Ahnström, Adrienn Teraz-Orosz, Ludovic Chaput, Natesh Singh, Bruno O. Villoutreix, Sassan Hafizi

Source: Biochemistry and Biophysics Reports, Vol 30, Iss , Pp 101263- (2022)

Subject Terms: Signal transduction, Protein-protein interaction, Receptor tyrosine kinase, Homology modelling, Molecular docking, Protein structure, Biology (General), QH301-705.5, Biochemistry, QD415-436

File Description: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2405580822000632; https://doaj.org/toc/2405-5808

Access URL: https://doaj.org/article/6257772e87b84a9290bb11f7c5d146cd

Resources and computational strategies to advance small molecule SARS-CoV-2 discovery: Lessons from the pandemic and preparing for future health crises

Authors: Natesh Singh, Bruno O. Villoutreix

Source: Computational and Structural Biotechnology Journal, Vol 19, Iss , Pp 2537-2548 (2021)

Subject Terms: Biotechnology, TP248.13-248.65

File Description: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2001037021001719; https://doaj.org/toc/2001-0370

Access URL: https://doaj.org/article/ad29baf9c0eb44e39f3df44181cdf9c7

A new ChEMBL dataset for the similarity-based target fishing engine FastTargetPred: Annotation of an exhaustive list of linear tetrapeptides

Authors: Shivalika Tanwar, Patrick Auberger, Germain Gillet, Mario DiPaola, Katya Tsaioun, Bruno O. Villoutreix

Source: Data in Brief, Vol 42, Iss , Pp 108159- (2022)

Subject Terms: Peptide, Virtual screening, Drug discovery, Target prediction, Computer applications to medicine. Medical informatics, R858-859.7, Science (General), Q1-390

File Description: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2352340922003638; https://doaj.org/toc/2352-3409

Access URL: https://doaj.org/article/6e535296d326447eb4efea2ac8a595bb

Post-Pandemic Drug Discovery and Development: Facing Present and Future Challenges

Authors: Bruno O. Villoutreix

Source: Frontiers in Drug Discovery, Vol 1 (2021)

Subject Terms: drug discovery, drug development, artificial intelligence, small molecules, biologics, admet, Therapeutics. Pharmacology, RM1-950

File Description: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fddsv.2021.728469/full; https://doaj.org/toc/2674-0338

Access URL: https://doaj.org/article/bfbfd5a5d86c44e591a1f211b890f354

Demystifying the Molecular Basis of Pyrazoloquinolinones Recognition at the Extracellular α1+/β3- Interface of the GABAA Receptor by Molecular Modeling

Authors: Natesh Singh, Bruno O. Villoutreix

Source: Frontiers in Pharmacology, Vol 11 (2020)

Subject Terms: GABAA receptor, pyrazoloquinolinones, molecular docking, structure-activity relationships (SARs), MM-GBSA binding energies, Therapeutics. Pharmacology, RM1-950

File Description: electronic resource

Relation: https://www.frontiersin.org/article/10.3389/fphar.2020.561834/full; https://doaj.org/toc/1663-9812

Access URL: https://doaj.org/article/a8e0ce4d1fb14490bd1d1ca893f32071

Ile73Asn mutation in protein C introduces a new N-linked glycosylation site on the first EGF-domain of protein C and causes thrombosis

Authors: Yeling Lu, Padmaja Mehta-D’souza, Indranil Biswas, Bruno O. Villoutreix, Xuefeng Wang, Qiulan Ding, Alireza R. Rezaie

Source: Haematologica, Vol 105, Iss 6 (2020)

Subject Terms: Diseases of the blood and blood-forming organs, RC633-647.5

File Description: electronic resource

Relation: https://haematologica.org/article/view/9448; https://doaj.org/toc/0390-6078; https://doaj.org/toc/1592-8721

Access URL: https://doaj.org/article/bec0d52fbec545c98d08061c0bfd0444

Analysis of protein missense alterations by combining sequence‐ and structure‐based methods

Authors: Aram Gyulkhandanyan, Alireza R. Rezaie, Lubka Roumenina, Nathalie Lagarde, Veronique Fremeaux‐Bacchi, Maria A. Miteva, Bruno O. Villoutreix

Source: Molecular Genetics & Genomic Medicine, Vol 8, Iss 4, Pp n/a-n/a (2020)

Subject Terms: Antithrombin, CYP, Factor B, Factor VIII, missense variants, PolyPhen‐2, Genetics, QH426-470

File Description: electronic resource

Relation: https://doaj.org/toc/2324-9269

Access URL: https://doaj.org/article/600b4f286a21496d8eb8dd6dc8fa9ec1

Computational Analysis of Chemical Space of Natural Compounds Interacting with Sulfotransferases

Authors: Iglika Lessigiarska, Yunhui Peng, Ivanka Tsakovska, Petko Alov, Nathalie Lagarde, Dessislava Jereva, Bruno O. Villoutreix, Arnaud B. Nicot, Ilza Pajeva, Tania Pencheva, Maria A. Miteva

Source: Molecules, Vol 26, Iss 21, p 6360 (2021)

Subject Terms: sulfotransferase, SULT1A1, natural compounds, ANOVA, PCA, cluster analysis, Organic chemistry, QD241-441

File Description: electronic resource

Relation: https://www.mdpi.com/1420-3049/26/21/6360; https://doaj.org/toc/1420-3049

Access URL: https://doaj.org/article/881ad93c36fb4f09b34ebbf847c8a805

In silico model of the human ClC-Kb chloride channel: pore mapping, biostructural pathology and drug screening

Authors: Maxime Louet, Sara Bitam, Naziha Bakouh, Yohan Bignon, Gabrielle Planelles, David Lagorce, Maria A. Miteva, Dominique Eladari, Jacques Teulon, Bruno O. Villoutreix

Source: Scientific Reports, Vol 7, Iss 1, Pp 1-15 (2017)

Subject Terms: Medicine, Science

File Description: electronic resource

Relation: https://doaj.org/toc/2045-2322

Access URL: https://doaj.org/article/4dc1bd937e734475b48e1b0e7b1ec36e

Virtual Ligand Screening for Structure-based Drug Design: Approaches and Progress

Authors: Olivier Sperandio, Maria A. Miteva, Bruno O. Villoutreix

Source: Bioautomation, Vol 7, Iss 1, Pp 104-121 (2007)

Subject Terms: Virtual screening, Structure-based drug design, Review, Biotechnology, TP248.13-248.65, Biology (General), QH301-705.5

File Description: electronic resource

Relation: http://www.clbme.bas.bg/bioautomation/2007/vol_7.1/files/7_4.5.pdf; https://doaj.org/toc/1313-261X; https://doaj.org/toc/1312-451X

Access URL: https://doaj.org/article/ff15b8741a9e4e538ca40e68434b1c85

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

Authors: Olivier Sperandio¹, Olivier Andrieu¹, Maria A. Miteva¹, Minh-Quang Vo¹, Marc Souaille¹, François Delfaud¹, Bruno O. Villoutreix¹

Source: Journal of Chemical Information & Modeling; May2007, Vol. 47 Issue 3, p1097-1110, 14p

Machine learning-driven identification of drugs inhibiting cytochrome P450 2C9.

Authors: Elodie Goldwaser, Catherine Laurent, Nathalie Lagarde, Sylvie Fabrega, Laure Nay, Bruno O Villoutreix, Christian Jelsch, Arnaud B Nicot, Marie-Anne Loriot, Maria A Miteva

Source: PLoS Computational Biology, Vol 18, Iss 1, p e1009820 (2022)

Subject Terms: Biology (General), QH301-705.5

File Description: electronic resource

Relation: https://doaj.org/toc/1553-734X; https://doaj.org/toc/1553-7358

Access URL: https://doaj.org/article/676c54c1293346ed92495073dc34d425

Insights into molecular mechanisms of drug metabolism dysfunction of human CYP2C9*30.

Authors: Maxime Louet, Céline M Labbé, Charline Fagnen, Cassiano M Aono, Paula Homem-de-Mello, Bruno O Villoutreix, Maria A Miteva

Source: PLoS ONE, Vol 13, Iss 5, p e0197249 (2018)

Subject Terms: Medicine, Science

File Description: electronic resource

Relation: http://europepmc.org/articles/PMC5944999?pdf=render; https://doaj.org/toc/1932-6203

Access URL: https://doaj.org/article/893648c839de4dbe91106c294712cc81

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

Authors: Stéphanie Pérot, Leslie Regad, Christelle Reynès, Olivier Spérandio, Maria A Miteva, Bruno O Villoutreix, Anne-Claude Camproux

Source: PLoS ONE, Vol 8, Iss 6, p e63730 (2013)

Subject Terms: Medicine, Science

File Description: electronic resource

Relation: http://europepmc.org/articles/PMC3688729?pdf=render; https://doaj.org/toc/1932-6203

Access URL: https://doaj.org/article/a15bd0bd31af482b8f74019b9e091162

In silico mechanistic profiling to probe small molecule binding to sulfotransferases.

Authors: Virginie Y Martiny, Pablo Carbonell, David Lagorce, Bruno O Villoutreix, Gautier Moroy, Maria A Miteva

Source: PLoS ONE, Vol 8, Iss 9, p e73587 (2013)

Subject Terms: Medicine, Science

File Description: electronic resource

Relation: https://www.ncbi.nlm.nih.gov/pmc/articles/pmid/24039991/?tool=EBI; https://doaj.org/toc/1932-6203

Access URL: https://doaj.org/article/13024b9923fb480c877f386bda11f813