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Predicting Activity Cliffs with Free-Energy Perturbation.
Pérez-Benito L, Casajuana-Martin N, Jiménez-Rosés M, van Vlijmen H, Tresadern G. Pérez-Benito L, et al. J Chem Theory Comput. 2019 Mar 12;15(3):1884-1895. doi: 10.1021/acs.jctc.8b01290. Epub 2019 Mar 1. J Chem Theory Comput. 2019. PMID: 30776226
Design of Negative and Positive Allosteric Modulators of the Cannabinoid CB2 Receptor Derived from the Natural Product Cannabidiol.
Navarro G, Gonzalez A, Sánchez-Morales A, Casajuana-Martin N, Gómez-Ventura M, Cordomí A, Busqué F, Alibés R, Pardo L, Franco R. Navarro G, et al. Among authors: casajuana martin n. J Med Chem. 2021 Jul 8;64(13):9354-9364. doi: 10.1021/acs.jmedchem.1c00561. Epub 2021 Jun 23. J Med Chem. 2021. PMID: 34161090 Free article.
Heterobivalent Ligand for the Adenosine A2A-Dopamine D2 Receptor Heteromer.
Pulido D, Casadó-Anguera V, Gómez-Autet M, Llopart N, Moreno E, Casajuana-Martin N, Ferré S, Pardo L, Casadó V, Royo M. Pulido D, et al. Among authors: casajuana martin n. J Med Chem. 2022 Jan 13;65(1):616-632. doi: 10.1021/acs.jmedchem.1c01763. Epub 2022 Jan 4. J Med Chem. 2022. PMID: 34982555
Pharmacological targeting of G protein-coupled receptor heteromers.
Moreno E, Casajuana-Martin N, Coyle M, Campos BC, Galaj E, Del Torrent CL, Seyedian A, Rea W, Cai NS, Bonifazi A, Florán B, Xi ZX, Guitart X, Casadó V, Newman AH, Bishop C, Pardo L, Ferré S. Moreno E, et al. Among authors: casajuana martin n. Pharmacol Res. 2022 Nov;185:106476. doi: 10.1016/j.phrs.2022.106476. Epub 2022 Sep 28. Pharmacol Res. 2022. PMID: 36182040 Free PMC article.
Preferential Gs protein coupling of the galanin Gal1 receptor in the µ-opioid-Gal1 receptor heterotetramer.
De Oliveira PA, Moreno E, Casajuana-Martin N, Casadó-Anguera V, Cai NS, Camacho-Hernandez GA, Zhu H, Bonifazi A, Hall MD, Weinshenker D, Newman AH, Logothetis DE, Casadó V, Plant LD, Pardo L, Ferré S. De Oliveira PA, et al. Among authors: casajuana martin n. Pharmacol Res. 2022 Aug;182:106322. doi: 10.1016/j.phrs.2022.106322. Epub 2022 Jun 22. Pharmacol Res. 2022. PMID: 35750299 Free PMC article.
Unique pharmacodynamic properties and low abuse liability of the µ-opioid receptor ligand (S)-methadone.
Levinstein MR, De Oliveira PA, Casajuana-Martin N, Quiroz C, Budinich RC, Rais R, Rea W, Ventriglia EN, Llopart N, Casadó-Anguera V, Moreno E, Walther D, Glatfelter GC, Weinshenker D, Zarate CA Jr, Casadó V, Baumann MH, Pardo L, Ferré S, Michaelides M. Levinstein MR, et al. Among authors: casajuana martin n. Mol Psychiatry. 2023 Dec 25. doi: 10.1038/s41380-023-02353-z. Online ahead of print. Mol Psychiatry. 2023. PMID: 38145984
The Leu/Val6.51 Side Chain of Cannabinoid Receptors Regulates the Binding Mode of the Alkyl Chain of Δ9-Tetrahydrocannabinol.
Llinas Del Torrent C, Raïch I, Gonzalez A, Casajuana-Martin N, Lillo J, Rebassa JB, Ferreiro-Vera C, Sánchez de Medina V, Franco R, Navarro G, Pardo L. Llinas Del Torrent C, et al. Among authors: casajuana martin n. J Chem Inf Model. 2023 Sep 25;63(18):5927-5935. doi: 10.1021/acs.jcim.3c01054. Epub 2023 Aug 29. J Chem Inf Model. 2023. PMID: 37644761 Free PMC article.
14 results