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Design of a structure-activity relationship model of vitamin K epoxide reductase (VKORC1) inhibitors combining chemical synthesis of new compounds, enzymatic assays and molecular modelling

Nolan Chatron , Manon Boulven , Adrien Montagut-Romans , Flavien Ponsot , Maïwenn Jacolot , et al.
Bioorganic and Medicinal Chemistry, 2023, 94, pp.117453. ⟨10.1016/j.bmc.2023.117453⟩
Article dans une revue hal-04602947v1

Structure–Activity Relationship (SAR) Modeling of Mosquito Repellents: Deciphering the Importance of the 1-Octanol/Water Partition Coefficient on the Prediction Results

James Devillers , Hugo Devillers
Applied Sciences, 2024, 14 (13), pp.5366. ⟨10.3390/app14135366⟩
Article dans une revue hal-04794759v1
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Structure–Activity Relationship Studies of Retro-1 Analogues against Shiga Toxin

Hajer Abdelkafi , Aurélien Michau , Valérie Pons , Flora Ngadjeua , Alexandra Clerget , et al.
Journal of Medicinal Chemistry, 2020, 63 (15), pp.8114-8133. ⟨10.1021/acs.jmedchem.0c00298⟩
Article dans une revue hal-03320788v1

Expert judgment based multicriteria decision models to assess the risk of pesticides on reproduction failures of grey partridge

James Devillers , Hugo Devillers , Elisabeth Bro , Florian Millot
SAR and QSAR in Environmental Research, 2017, 28 (11), pp.889-911. ⟨10.1080/1062936X.2017.1402449⟩
Article dans une revue hal-02625439v1
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Synthesis, Structure–Activity Relationships, and Antiviral Profiling of 1-Heteroaryl-2-Alkoxyphenyl Analogs As Inhibitors of SARS-CoV-2 Replication

Dorothée Bardiot , Laura Vangeel , Mohamed Koukni , Philippe Arzel , Marleen Zwaagstra , et al.
Molecules, 2022, 27 (3), pp.1052. ⟨10.3390/molecules27031052⟩
Article dans une revue hal-03561598v1

Use of (Q)SAR genotoxicity predictions and fuzzy multicriteria decision-making for priority ranking of ethoxyquin transformation products

J.D. Rasinger , F. Frenzel , A. Braeuning , A. Bernhard , R. Ørnsrud , et al.
Environment International, 2022, 158, pp.106875. ⟨10.1016/j.envint.2021.106875⟩
Article dans une revue hal-03813592v1

Anti-tyrosinase, anti-cholinesterase and cytotoxic activities of extracts and phytochemicals from the Tunisian Citharexylum spinosum L.: Molecular docking and SAR analysis

Ilyes Saidi , Vijaykumar Nimbarte , Harald Schwalbe , Pierre Waffo-Téguo , Abdel Halim Harrath , et al.
Bioorganic Chemistry, 2020, 102, pp.1-11. ⟨10.1016/j.bioorg.2020.104093⟩
Article dans une revue hal-02951853v1

Iridoid glycosides from the Tunisian Citharexylum spinosum L.: Isolation, structure elucidation, biological evaluation, molecular docking and SAR analysis

Ilyes Saidi , Wiem Baccari , Axel Marchal , Pierre Waffo-Téguo , Abdel Halim Harrath , et al.
Industrial Crops and Products, 2020, 151, pp.1-10. ⟨10.1016/j.indcrop.2020.112440⟩
Article dans une revue hal-03174723v1
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Semi-synthesis, α-amylase inhibition, and kinetic and molecular docking studies of arylidene-based sesquiterpene coumarins isolated from Ferula tunetana Pomel ex Batt

Wiem Baccari , Ilyes Saidi , Insaf Filali , Mansour Znati , Houda Lazrag , et al.
RSC Advances, 2024, 7, pp.4654-4665. ⟨10.1039/D3RA07540K⟩
Article dans une revue hal-04444202v1

Induction of Haustorium Development by Sphaeropsidones in Radicles of the Parasitic Weeds Striga and Orobanche. A Structure-Activity Relationship Study

Monica Fernandez-Aparicio Ruiz , Marco Masi , Lucia Maddau , Alessio Cimmino , Marco Evidente , et al.
Journal of Agricultural and Food Chemistry, 2016, 64 (25), pp.5188-5196. ⟨10.1021/acs.jafc.6b01910⟩
Article dans une revue hal-02631909v1

Crystal structure and functional domains of the Mambaquaretin-1, a vasopressin type 2 receptor peptide inhibitor for kidney cysts treatment

Laura Droctové , Justyna Ciolek , Manon Lancien , Enrico Stura , Laura Vera , et al.
Toxicon, 2018, 149, pp.91-92. ⟨10.1016/j.toxicon.2017.12.021⟩
Article dans une revue hal-03572739v1
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Safety assessment of the substance 1,2,3,4‐tetrahydronaphthalene‐2,6‐dicarboxylic acid, dimethyl ester for use in food contact materials

Vittorio Silano , Claudia Bolognesi , Jean Pierre J. P. Cravedi , Karl‐heinz Engel , Paul Fowler , et al.
EFSA Journal, 2017, 15 (5), 7 p. ⟨10.2903/j.efsa.2017.4840⟩
Article dans une revue hal-01607141v1

P01-34 Identification and toxicity assessment of volatile and semi-volatile non-intentionally added substances from polyester-based can coating

Ruzanna Hayrapetyan , Isabelle Séverin , Olha Matviichuk , Véronique Monneraye , Ronan Cariou , et al.
Toxicology Letters, 2024, 399, pp.S85. ⟨10.1016/j.toxlet.2024.07.225⟩
Article dans une revue hal-04703583v1
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Synthetic analogues of huwentoxin-IV spider peptide with altered human Nav1.7/Nav1.6 selectivity ratios

Ludivine Lopez , Jérôme Montnach , Barbara B R Oliveira‐mendes , Baptiste Thomas , Cécile Caumes , et al.
RT27 – 27th Meeting of the French Society of Toxinology – Toxins: Mr Hyde or Dr Jekyll?, Dec 2021, Paris (Virtual), France
Poster de conférence hal-04470224v1
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Synthetic analogues of Huwentoxin-IV spider peptide with altered human Nav1.7/Nav1.6 selectivity ratios

Ludivine Lopez , Jérôme Montnach , Barbara B R Oliveira‐mendes , Kuldip Khakh , Baptiste Thomas , et al.
Frontiers in Cell and Developmental Biology, 2021, 9, pp.798588. ⟨10.3389/fcell.2021.798588⟩
Article dans une revue hal-03520574v1

Current knowledge and toward new promising therapies to control cryptosporidiosis

Fabrice Laurent , Gergo Motan , Lindon W. K. Moodie , Caroline Theresine , Tiffany Pézier , et al.
13. European Multi¬colloquium of Parasitology (EMOP 2021), the Serbian Society for Parasitology and the European Federation of Parasitologists (EFP),, Oct 2021, Belgrade, Serbia
Communication dans un congrès hal-03470811v1

Optimization and in Vivo Validation of Peptide Vectors Targeting the LDL Receptor

Guillaume Jacquot , Pascaline Lecorché , Jean-Daniel Malcor , Mathieu Laurencin , Maria Smirnova , et al.
Molecular Pharmaceutics, 2016, 13 (12), pp.4094--4105. ⟨10.1021/acs.molpharmaceut.6b00687⟩
Article dans une revue hal-01474309v1

In silico prediction of mosquito repellents for clothing application

J. Devillers , V. Sartor , J.P. Doucet , A. Doucet-Panaye , Hugo Devillers
SAR and QSAR in Environmental Research, 2022, 33 (4), pp.239-257. ⟨10.1080/1062936X.2022.2062871⟩
Article dans une revue hal-03671997v1

Linear and non-linear QSAR modelling of juvenile hormone esterase inhibitors

J. Devillers , J. P. Doucet , A. Doucet-Panaye , Axel A. Decourtye , Pierrick Aupinel
SAR and QSAR in Environmental Research, 2012, 23 (3-4), pp.357 - 369. ⟨10.1080/1062936X.2012.664562⟩
Article dans une revue hal-02652002v1

Nonlinear SAR Modelling of Mosquito Repellents for Skin Application

James Devillers , Adeline Larghi , Valérie Sartor , Marie-Laure Setier-Rio , Christophe Lagneau , et al.
Toxics, 2023, 11 (10), pp.837. ⟨10.3390/toxics11100837⟩
Article dans une revue hal-04369540v1
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Discovery, SAR study and ADME properties of methyl 4-amino-3-cyano-1-(2-benzyloxyphenyl)-1 H -pyrazole-5-carboxylate as an HIV-1 replication inhibitor

Jeanne Fichez , Cathia Soulié , Laurent Le Corre , Sophie Sayon , Stéphane Priet , et al.
RSC Medicinal Chemistry, 2020, 11 (5), pp.577-582. ⟨10.1039/D0MD00025F⟩
Article dans une revue hal-03030936v1
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Mitigation of heterocyclic aromatic amines in cooked meat. Part I: Informed selection of antioxidants based on molecular modeling

Maïa Meurillon , Magaly Angenieux , Frédéric Mercier , Patrick Blinet , Laurent Chaloin , et al.
Food Chemistry, 2020, 331, pp.127264. ⟨10.1016/j.foodchem.2020.127264⟩
Article dans une revue hal-02890485v1

Identification of a curative treatment to control cryptosporidiosis

J. Wenker , G. Motan , L. Moodie , C. Theresine , Tiffany Pézier , et al.
EMBO worshop « New frontiers in host-parasite-interactions, from cell to organism », Oct 2022, Six-Fours-les-Plages, France.
Poster de conférence hal-04185441v1
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Discovery of compounds blocking the proliferation of Toxoplasma gondii and Plasmodium falciparum in a chemical space based on piperidinyl-benzimidazolidinone analogs.

Nadia Saïdani , Cyrille y Botté , Michael Deligny , Anne-Laure Bonneau , Janette Reader , et al.
Antimicrobial Agents and Chemotherapy, 2014, 58 (5), pp.2586-2597. ⟨10.1128/AAC.01445-13⟩
Article dans une revue hal-00966432v1