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Destination: mk:title Children: Item: Title: 1 Introduction Destination: mk:H1_1 Item: Title: 2 Results and discussion Destination: mk:H1_2 Children: Item: Title: 2.1 Chemoinformatics similarity search for putative TRPV2 modulators Destination: mk:H2_1 Item: Title: 2.2 Ligand-based virtual screening and PBCD binding site assignment Destination: mk:H2_2 Item: Title: 2.3 Design of a Ca2+ assay to test TRPV2 activity Destination: mk:H2_3 Item: Title: 2.4 EC50 estimation and data analysis Destination: mk:H2_4 Item: Title: 2.5 Agonist-mode determination of PBCD-derivatives activity Destination: mk:H2_5 Item: Title: 2.6 Assessing vascular responses to TRPV2 agonists Destination: mk:H2_6 Item: Title: 2.7 Influence of sex in TRPV2 agonists’ vascular responses   the case of PSBA Destination: mk:H2_7 Item: Title: 2.8 Putative binding site for PSBA Destination: mk:H2_8 Item: Title: 3 Conclusions Destination: mk:H1_3 Item: Title: Author statement Destination: mk:H1_4 Item: Title: Declarations of 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10.1016/j.csbj.2023.12.028 Elsevier B.V. Computational and Structural Biotechnology Journal, 23 (2024) 473-482. doi:10.1016/j.csbj.2023.12.028 Ion channels TRP channels TRPV2 Drug discovery Membrane proteins Biophysics Docking Cardiovascular Computational biology Structural biology Pharmacology Experimental and computational biophysics to identify vasodilator drugs targeted at TRPV2 using agonists based on the probenecid scaffold Èric Catalina-Hernández Mario López-Martín David Masnou-Sánchez Marco Martins Victor A. Lorenz-Fonfria Francesc Jiménez-Altayó Ute A. Hellmich Hitoshi Inada Antonio Alcaraz Yuji Furutani Alfons Nonell-Canals Jose Luis Vázquez-Ibar Carmen Domene Rachelle Gaudet Alex Perálvarez-Marín journal Computational and Structural Biotechnology Journal © 2023 Published by Elsevier B.V. on behalf of Research Network of Computational and Structural Biotechnology. 2001-0370 23 1 December 2024 2024-12-01 473-482 473 482 10.1016/j.csbj.2023.12.028 https://doi.org/10.1016/j.csbj.2023.12.028 2010-04-23 true 10.1016/j.csbj.2023.12.028 elsevier.com sciencedirect.com http://creativecommons.org/licenses/by-nc-nd/4.0/ VoR 7.0 10.1016/j.csbj.2023.12.028 noindex 2010-04-23 true 2nd January 2024 sciencedirect.com elsevier.com Elsevier 2024-01-02T10:58:03 2024-01-02T10:55:21 2024-01-02T10:58:03 True 2nd January 2024 Acrobat Distiller 8.1.0 (Windows) Ion channels,TRP channels,TRPV2,Drug discovery,Membrane proteins,Biophysics,Docking,Cardiovascular,Computational biology,Structural biology,Pharmacology uuid:1b499bed-4ce8-4c0c-b682-0d58baae1cbe 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