Nathalie Lagarde - Publications

Paris, CNAM 
Virtual screening, Docking, Flexibility, Benchmarking database, Nuclear receptors, Interleukin 6, Rheumatoid arthritis

16 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Jaffrelot Inizan T, Célerse F, Adjoua O, El Ahdab D, Jolly LH, Liu C, Ren P, Montes M, Lagarde N, Lagardère L, Monmarché P, Piquemal JP. High-resolution mining of the SARS-CoV-2 main protease conformational space: supercomputer-driven unsupervised adaptive sampling. Chemical Science. 12: 4889-4907. PMID 34168762 DOI: 10.1039/d1sc00145k  0.68
2021 Sellami A, Montes M, Lagarde N. Predicting Potential Endocrine Disrupting Chemicals Binding to Estrogen Receptor α (ERα) Using a Pipeline Combining Structure-Based and Ligand-Based in Silico Methods. International Journal of Molecular Sciences. 22. PMID 33799614 DOI: 10.3390/ijms22062846  0.68
2021 Dumond A, Brachet E, Durivault J, Vial V, Puszko AK, Lepelletier Y, Montemagno C, Pagnuzzi-Boncompagni M, Hermine O, Garbay C, Lagarde N, Montes M, Demange L, Grépin R, Pagès G. Neuropilin 1 and Neuropilin 2 gene invalidation or pharmacological inhibition reveals their relevance for the treatment of metastatic renal cell carcinoma. Journal of Experimental & Clinical Cancer Research : Cr. 40: 33. PMID 33461580 DOI: 10.1186/s13046-021-01832-x  0.68
2020 Ricco C, Abdmouleh F, Riccobono C, Guenineche L, Martin F, Goya-Jorge E, Lagarde N, Liagre B, Ali MB, Ferroud C, Arbi ME, Veitía MS. Pegylated triarylmethanes: Synthesis, antimicrobial activity, anti-proliferative behavior and in silico studies. Bioorganic Chemistry. 96: 103591. PMID 32004896 DOI: 10.1016/J.Bioorg.2020.103591  0.36
2019 Réau M, Lagarde N, Zagury JF, Montes M. Hits Discovery on the Androgen Receptor: In Silico Approaches to Identify Agonist Compounds. Cells. 8. PMID 31766271 DOI: 10.3390/Cells8111431  0.68
2019 Dufies M, Grytsai O, Ronco C, Camara O, Ambrosetti D, Hagege A, Parola J, Mateo L, Ayrault M, Giuliano S, Grépin R, Lagarde N, Montes M, Auberger P, Demange L, et al. New CXCR1/CXCR2 inhibitors represent an effective treatment for kidney or head and neck cancers sensitive or refractory to reference treatments. Theranostics. 9: 5332-5346. PMID 31410218 DOI: 10.7150/Thno.34681  0.68
2018 R Eacute Au M, Lagarde N, Zagury JF, Montes M. Nuclear Receptors DataBase Including Negative Data (NR-DBIND): A database dedicated to nuclear receptors binding data including negative data and pharmacological profile. Journal of Medicinal Chemistry. PMID 30354114 DOI: 10.1021/Acs.Jmedchem.8B01105  0.68
2018 Réau M, Langenfeld F, Zagury JF, Lagarde N, Montes M. Decoys Selection in Benchmarking Datasets: Overview and Perspectives. Frontiers in Pharmacology. 9: 11. PMID 29416509 DOI: 10.3389/Fphar.2018.00011  0.68
2018 Rayar AM, Lagarde N, Martin F, Blanchard F, Liagre B, Ferroud C, Zagury JF, Montes M, Sylla-Iyarreta Veitía M. New selective cyclooxygenase-2 inhibitors from cyclocoumarol: Synthesis, characterization, biological evaluation and molecular modeling. European Journal of Medicinal Chemistry. 146: 577-587. PMID 29407982 DOI: 10.1016/J.Ejmech.2018.01.054  0.68
2017 Rayar AM, Lagarde N, Ferroud C, Zagury JF, Montes M, Veitía MS. Update on COX-2 selective inhibitors: chemical classification, side effects and their use in cancers and neuronal diseases. Current Topics in Medicinal Chemistry. PMID 28828990 DOI: 10.2174/1568026617666170821124947  0.68
2017 Lagarde N, Delahaye S, Jérémie A, Ben Nasr N, Guillemain H, Empereur-Mot C, Laville V, Labib T, Réau M, Langenfeld F, Zagury JF, Montes M. Discriminating Agonist from Antagonist Ligands of the Nuclear Receptors Using Different Chemoinformatics Approaches. Molecular Informatics. PMID 28671755 DOI: 10.1002/Minf.201700020  0.68
2016 Lagarde N, Delahaye S, Zagury JF, Montes M. Discriminating agonist and antagonist ligands of the nuclear receptors using 3D-pharmacophores. Journal of Cheminformatics. 8: 43. PMID 27602059 DOI: 10.1186/S13321-016-0154-2  0.68
2015 Lagarde N, Zagury JF, Montes M. Benchmarking Data Sets for the Evaluation of Virtual Ligand Screening Methods: Review and Perspectives Journal of Chemical Information and Modeling. 55: 1297-1307. PMID 26038804 DOI: 10.1021/Acs.Jcim.5B00090  0.68
2014 Lagarde N, Zagury JF, Montes M. Importance of the pharmacological profile of the bound ligand in enrichment on nuclear receptors: toward the use of experimentally validated decoy ligands. Journal of Chemical Information and Modeling. 54: 2915-44. PMID 25250508 DOI: 10.1021/Ci500305C  0.68
2014 Lagarde N, Ben Nasr N, Jérémie A, Guillemain H, Laville V, Labib T, Zagury JF, Montes M. NRLiSt BDB, the manually curated nuclear receptors ligands and structures benchmarking database. Journal of Medicinal Chemistry. 57: 3117-25. PMID 24666037 DOI: 10.1021/Jm500132P  0.68
2013 Ben Nasr N, Guillemain H, Lagarde N, Zagury JF, Montes M. Multiple structures for virtual ligand screening: defining binding site properties-based criteria to optimize the selection of the query. Journal of Chemical Information and Modeling. 53: 293-311. PMID 23312043 DOI: 10.1021/Ci3004557  0.68
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