WLB-87848, a Selective σ1 Receptor Agonist, with an Unusually Positioned NH Group as Positive Ionizable Moiety and Showing Neuroprotective Activity
Christmann, Ute, Garriga, Lourdes, Llorente, Ana Virginia, Díaz, José Luis, Pascual, Rosalía, Bordas, Magda, Dordal, Albert, Porras, Mónica, Yeste, Sandra, Reinoso, Raquel F., Vela, José Miguel, Almansa, Carmen
Published in Journal of medicinal chemistry (13.06.2024)
Published in Journal of medicinal chemistry (13.06.2024)
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Journal Article
Critical comparison of shake-flask, potentiometric and chromatographic methods for lipophilicity evaluation (log Po/w) of neutral, acidic, basic, amphoteric, and zwitterionic drugs
Port, Adriana, Bordas, Magda, Enrech, Raquel, Pascual, Rosalia, Rosés, Martí, Ràfols, Clara, Subirats, Xavier, Bosch, Elisabeth
Published in European journal of pharmaceutical sciences (15.09.2018)
Published in European journal of pharmaceutical sciences (15.09.2018)
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Journal Article
Synthesis and Structure–Activity Relationship Study of a New Series of Selective σ1 Receptor Ligands for the Treatment of Pain: 4‑Aminotriazoles
Díaz, José Luis, Christmann, Ute, Fernández, Ariadna, Torrens, Antoni, Port, Adriana, Pascual, Rosalia, Álvarez, Inés, Burgueño, Javier, Monroy, Xavier, Montero, Ana, Balada, Ariadna, Vela, José Miguel, Almansa, Carmen
Published in Journal of medicinal chemistry (12.03.2015)
Published in Journal of medicinal chemistry (12.03.2015)
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Journal Article
Comparison of Ligand-Based and Receptor-Based Virtual Screening of HIV Entry Inhibitors for the CXCR4 and CCR5 Receptors Using 3D Ligand Shape Matching and Ligand−Receptor Docking
Pérez-Nueno, Violeta I, Ritchie, David W, Rabal, Obdulia, Pascual, Rosalia, Borrell, Jose I, Teixidó, Jordi
Published in Journal of chemical information and modeling (01.03.2008)
Published in Journal of chemical information and modeling (01.03.2008)
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Journal Article
4‑Aryl-1-oxa-4,9-diazaspiro[5.5]undecane Derivatives as Dual μ‑Opioid Receptor Agonists and σ1 Receptor Antagonists for the Treatment of Pain
García, Mónica, Virgili, Marina, Alonso, Mònica, Alegret, Carles, Fernández, Begoña, Port, Adriana, Pascual, Rosalía, Monroy, Xavier, Vidal-Torres, Alba, Serafini, María-Teresa, Vela, José Miguel, Almansa, Carmen
Published in Journal of medicinal chemistry (12.03.2020)
Published in Journal of medicinal chemistry (12.03.2020)
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Journal Article
Bicyclic Diazepinones as Dual Ligands of the α2δ‑1 Subunit of Voltage-Gated Calcium Channels and the Norepinephrine Transporter
Díaz, José Luis, Cuevas, Félix, Pazos, Gonzalo, Álvarez-Bercedo, Paula, Oliva, Ana I, Sarmentero, M. Ángeles, Font, Daniel, Jiménez-Aquino, Agustín, Morón, María, Port, Adriana, Pascual, Rosalía, Dordal, Albert, Portillo-Salido, Enrique, Reinoso, Raquel F, Vela, José Miguel, Almansa, Carmen
Published in Journal of medicinal chemistry (25.02.2021)
Published in Journal of medicinal chemistry (25.02.2021)
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Journal Article
Bispecific sigma-1 receptor antagonism and mu-opioid receptor partial agonism: WLB-73502, an analgesic with improved efficacy and safety profile compared to strong opioids
Vidal-Torres, Alba, Fernández-Pastor, Begoña, García, Mónica, Ayet, Eva, Cabot, Anna, Burgueño, Javier, Monroy, Xavier, Aubel, Bertrand, Codony, Xavier, Romero, Luz, Pascual, Rosalía, Serafini, Maria Teresa, Encina, Gregorio, Almansa, Carmen, Zamanillo, Daniel, Merlos, Manuel, Vela, José Miguel
Published in Acta pharmaceutica Sinica. B (01.01.2023)
Published in Acta pharmaceutica Sinica. B (01.01.2023)
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Journal Article
4-Aryl-1-oxa-4,9-diazaspiro[5.5]undecane Derivatives as Dual mu-Opioid Receptor Agonists and sigma(1) Receptor Antagonists for the Treatment of Pain
Garcia, Monica, Virgili, Marina, Alonso, Monica, Alegret, Caries, Fernandez, Begona, Port, Adriana, Pascual, Rosalia, Monroy, Xavier, Vidal-Torres, Alba, Serafini, Maria-Teresa, Miguel Vela, Jose, Almansa, Carmen
Published in Journal of medicinal chemistry (12.03.2020)
Published in Journal of medicinal chemistry (12.03.2020)
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Journal Article
Discovery of WLB-89462, a New Drug-like and Highly Selective s2 Receptor Ligand with Neuroprotective Properties
Christmann, Ute, Diaz, Jose Luis, Pascual, Rosalia, Bordas, Magda, Alvarez, Ines, Monroy, Xavier, Porras, Monica, Yeste, Sandra, Reinoso, Raquel F., Merlos, Manuel, Vela, Jose Miguel, Almansa, Carmen
Published in Journal of medicinal chemistry (22.08.2023)
Published in Journal of medicinal chemistry (22.08.2023)
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Journal Article
Discovery of WLB-89462, a New Drug-like and Highly Selective σ 2 Receptor Ligand with Neuroprotective Properties
Christmann, Ute, Díaz, José Luis, Pascual, Rosalia, Bordas, Magda, Álvarez, Inés, Monroy, Xavier, Porras, Mónica, Yeste, Sandra, Reinoso, Raquel F., Merlos, Manuel, Vela, José Miguel, Almansa, Carmen
Published in Journal of medicinal chemistry (14.09.2023)
Published in Journal of medicinal chemistry (14.09.2023)
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Journal Article
Pushing the Limits of Computational Structure-Based Drug Design with a Cryo-EM Structure: The Ca2+ Channel α2δ‑1 Subunit as a Test Case
Kotev, Martin, Pascual, Rosalia, Almansa, Carmen, Guallar, Victor, Soliva, Robert
Published in Journal of chemical information and modeling (27.08.2018)
Published in Journal of chemical information and modeling (27.08.2018)
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Journal Article
Publication
Pushing the Limits of Computational Structure-Based Drug Design with a Cryo-EM Structure: The Ca 2+ Channel α2δ-1 Subunit as a Test Case
Kotev, Martin, Pascual, Rosalia, Almansa, Carmen, Guallar, Victor, Soliva, Robert
Published in Journal of chemical information and modeling (27.08.2018)
Published in Journal of chemical information and modeling (27.08.2018)
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Journal Article
Pushing the Limits of Computational Structure-Based Drug Design with a Cryo-EM Structure: The Ca2+ Channel a2d-1 Subunit as a Test Case
Kotev, Martin, Pascual, Rosalia, Almansa, Carmen, Guallar, Victor, Soliva, Robert
Published in Journal of chemical information and modeling (27.08.2018)
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Published in Journal of chemical information and modeling (27.08.2018)
Journal Article
Discovery of EST73502, a Dual mu-Opioid Receptor Agonist and sigma(1) Receptor Antagonist Clinical Candidate for the Treatment of Pain
Garcia, Monica, Virgili, Marina, Alonso, Monica, Alegret, Carles, Farran, Joan, Fernandez, Begona, Bordas, Magda, Pascual, Rosalia, Burgueno, Javier, Vidal-Torres, Alba, Fernandez de Henestrosa, Antonio R., Ayet, Eva, Merlos, Manuel, Miguel Vela, Jose, Plata-Salaman, Carlos R., Almansa, Carmen
Published in Journal of medicinal chemistry (24.12.2020)
Published in Journal of medicinal chemistry (24.12.2020)
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Journal Article
Discovery of WLB-89462, a New Drug-like and Highly Selective σ2 Receptor Ligand with Neuroprotective Properties
Christmann, Ute, Díaz, José Luis, Pascual, Rosalia, Bordas, Magda, Álvarez, Inés, Monroy, Xavier, Porras, Mónica, Yeste, Sandra, Reinoso, Raquel F., Merlos, Manuel, Vela, José Miguel, Almansa, Carmen
Published in Journal of medicinal chemistry (14.09.2023)
Published in Journal of medicinal chemistry (14.09.2023)
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Journal Article
Evaluation of log Po/w values of drugs from some molecular structure calculation software
Pallicer, Juan M, Roses, Marti, Rafols, Clara, Bosch, Elisabeth, Pascual, Rosalia, Port, Adriana
Published in ADMET & DMPK (01.07.2014)
Published in ADMET & DMPK (01.07.2014)
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Journal Article
Discovery of EST73502, a Dual μ‑Opioid Receptor Agonist and σ1 Receptor Antagonist Clinical Candidate for the Treatment of Pain
García, Mónica, Virgili, Marina, Alonso, Mònica, Alegret, Carles, Farran, Joan, Fernández, Begoña, Bordas, Magda, Pascual, Rosalia, Burgueño, Javier, Vidal-Torres, Alba, Fernández de Henestrosa, Antonio R, Ayet, Eva, Merlos, Manuel, Vela, Jose Miguel, Plata-Salamán, Carlos R, Almansa, Carmen
Published in Journal of medicinal chemistry (24.12.2020)
Published in Journal of medicinal chemistry (24.12.2020)
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Journal Article
Synthesis and Structure-Activity Relationship Study of a New Series of Selective sigma(1) Receptor Ligands for the Treatment of Pain: 4-Aminotriazoles
Luis Diaz, Jose, Christmann, Ute, Fernandez, Ariadna, Torrens, Antoni, Port, Adriana, Pascual, Rosalia, Alvarez, Ines, Burgueno, Javier, Monroy, Xavier, Montero, Ana, Balada, Ariadna, Miguel Vela, Jose, Almansa, Carmen
Published in Journal of medicinal chemistry (12.03.2015)
Published in Journal of medicinal chemistry (12.03.2015)
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Journal Article
Discovery of EST73502, a Dual μ-Opioid Receptor Agonist and σ 1 Receptor Antagonist Clinical Candidate for the Treatment of Pain
García, Mónica, Virgili, Marina, Alonso, Mònica, Alegret, Carles, Farran, Joan, Fernández, Begoña, Bordas, Magda, Pascual, Rosalia, Burgueño, Javier, Vidal-Torres, Alba, Fernández de Henestrosa, Antonio R, Ayet, Eva, Merlos, Manuel, Vela, Jose Miguel, Plata-Salamán, Carlos R, Almansa, Carmen
Published in Journal of medicinal chemistry (24.12.2020)
Published in Journal of medicinal chemistry (24.12.2020)
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Journal Article