المؤلفون: Ariadna Fernández (1638028), José Luis Díaz (1638049), Mónica García (8086490), Sergi Rodríguez-Escrich (2429539), Adriana Lorente (1457980), Raquel Enrech (1960390), Albert Dordal (10151778), Enrique Portillo-Salido (1859692), Mónica Porras (11524377), Begoña Fernández (2343823), Raquel F. Reinoso (1960381), José Miguel Vela (1638055), Carmen Almansa (1638043)

مصطلحات موضوعية: Biochemistry, Medicine, Neuroscience, Science Policy, Chemical Sciences not elsewhere classified, showed high selectivity, reduce lipophilicity provided, pyrido ­[ 4, micromolar hts hit, improved analgesic efficacy, gated calcium channels, small alkyl group, piperazinyl bicyclic derivatives, 4 ­( 3, 4 -( 3, >)- one scaffold, v , 1 versus ca, >)- one, central scaffold, butyl group, position 3, 3 -<, selective ligands, safety ratio, r <, probably linked, piperazinyl quinazolin, pharmacological activities, new series

Relation: https://figshare.com/articles/journal_contribution/Piperazinyl_Bicyclic_Derivatives_as_Selective_Ligands_of_the_2_1_Subunit_of_Voltage-Gated_Calcium_Channels/16744425

الاتاحة: https://doi.org/10.1021/acsmedchemlett.1c00416.s001

المؤلفون: José Luis Díaz (9690464), Félix Cuevas (10151766), Ana I. Oliva (2442925), Daniel Font (2294200), M. Ángeles Sarmentero (10151772), Paula Álvarez-Bercedo (2244268), José M. López-Valbuena (10652424), Miquel A. Pericàs (1368555), Raquel Enrech (1960390), Ana Montero (1638034), Sandra Yeste (6388964), Alba Vidal-Torres (8086502), Inés Álvarez (1638019), Pilar Pérez (1859686), Cruz Miguel Cendán (9690476), Enrique J. Cobos (2196841), José Miguel Vela (1638055), Carmen Almansa (1638043)

مصطلحات موضوعية: Biochemistry, Medicine, Molecular Biology, Neuroscience, Physiology, Pharmacology, Cancer, Mental Health, Infectious Diseases, Chemical Sciences not elsewhere classified, Tricyclic Triazoles, σ 1 R antagonists, σ 1 Receptor Antagonists, off-target affinities, exposure levels, parent racemic nonpolar derivatives, p K, 12 lR, brain-to-plasma ratio distribution ., optimization program, 12 qS

Relation: https://figshare.com/articles/journal_contribution/Tricyclic_Triazoles_as_sub_1_sub_Receptor_Antagonists_for_Treating_Pain/14423229

الاتاحة: https://doi.org/10.1021/acs.jmedchem.1c00244.s001

المؤلفون: José Luis Díaz (9690464), Mónica García (8086490), Antoni Torrens (1638037), Ana María Caamaño (9690467), Juan Enjo (2984154), Cristina Sicre (2340220), Adriana Lorente (1457980), Adriana Port (1638046), Ana Montero (1638034), Sandra Yeste (6388964), Inés Álvarez (1638019), Miquel Martín (9690470), Rafael Maldonado (266631), Beatriz de la Puente (10720916), Alba Vidal-Torres (8086502), Cruz Miguel Cendán (9690476), José Miguel Vela (1638055), Carmen Almansa (1638043)

مصطلحات موضوعية: Biochemistry, Medicine, Genetics, Neuroscience, Pharmacology, Sociology, Cancer, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, capsaicin, pharmacokinetic profile, rodent, series, difluorophenyl, production scale, permeability, species, classification, candidate, identification, 9 k, Soluble σ 1 Receptor Antagonist Cli., EST, Pain Management, Caco -2 cells, solubility, pyrazole, antagonist, compound 9 k, stability

Relation: https://figshare.com/articles/journal_contribution/EST64454_a_Highly_Soluble_sub_1_sub_Receptor_Antagonist_Clinical_Candidate_for_Pain_Management/13288754

الاتاحة: https://doi.org/10.1021/acs.jmedchem.0c01575.s001

المؤلفون: Mónica García (8086490), Virginia Llorente (11098468), Lourdes Garriga (3065298), Ute Christmann (1638040), Sergi Rodríguez-Escrich (2429539), Marina Virgili (2508727), Begoña Fernández (2343823), Magda Bordas (1960387), Eva Ayet (9531105), Javier Burgueño (1638022), Marta Pujol (7043837), Albert Dordal (10151778), Enrique Portillo-Salido (1859692), Georgia Gris (11098471), José Miguel Vela (1638055), Carmen Almansa (1638043)

مصطلحات موضوعية: Medicine, Neuroscience, Pharmacology, Ecology, Science Policy, Biological Sciences not elsewhere classified, μ- opioid receptor agonists, σ 1 Receptor Antagonists, compound, Modification, drug-like properties, paw pressure, propionamide derivatives, high-throughput screening, series, 18 g, sciatic nerve ligation, Agonist, piperazinylcycloalkylmethyl propion., animal models, Opioid, challenge, Dual, oxycodone

Relation: https://figshare.com/articles/dataset/Propionamide_Derivatives_as_Dual_Opioid_Receptor_Agonists_and_sub_1_sub_Receptor_Antagonists_for_the_Treatment_of_Pain/14932903

الاتاحة: https://doi.org/10.1021/acs.jmedchem.1c00417.s001

المؤلفون: José Luis Díaz (9690464), Félix Cuevas (10151766), Ana I. Oliva (2442925), Daniel Font (2294200), M. Ángeles Sarmentero (10151772), Paula Álvarez-Bercedo (2244268), José M. López-Valbuena (10652424), Miquel A. Pericàs (1368555), Raquel Enrech (1960390), Ana Montero (1638034), Sandra Yeste (6388964), Alba Vidal-Torres (8086502), Inés Álvarez (1638019), Pilar Pérez (1859686), Cruz Miguel Cendán (9690476), Enrique J. Cobos (2196841), José Miguel Vela (1638055), Carmen Almansa (1638043)

مصطلحات موضوعية: Biochemistry, Medicine, Molecular Biology, Neuroscience, Physiology, Pharmacology, Cancer, Mental Health, Infectious Diseases, Chemical Sciences not elsewhere classified, Tricyclic Triazoles, σ 1 R antagonists, σ 1 Receptor Antagonists, off-target affinities, exposure levels, parent racemic nonpolar derivatives, p K, 12 lR, brain-to-plasma ratio distribution ., optimization program, 12 qS

Relation: https://figshare.com/articles/dataset/Tricyclic_Triazoles_as_sub_1_sub_Receptor_Antagonists_for_Treating_Pain/14423232

الاتاحة: https://doi.org/10.1021/acs.jmedchem.1c00244.s002

المؤلفون: José Luis Díaz (9690464), Mónica García (8086490), Antoni Torrens (1638037), Ana María Caamaño (9690467), Juan Enjo (2984154), Cristina Sicre (2340220), Adriana Lorente (1457980), Adriana Port (1638046), Ana Montero (1638034), Sandra Yeste (6388964), Inés Álvarez (1638019), Miquel Martín (9690470), Rafael Maldonado (266631), Beatriz de la Puente (10720916), Alba Vidal-Torres (8086502), Cruz Miguel Cendán (9690476), José Miguel Vela (1638055), Carmen Almansa (1638043)

مصطلحات موضوعية: Biochemistry, Medicine, Genetics, Neuroscience, Pharmacology, Sociology, Cancer, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, capsaicin, pharmacokinetic profile, rodent, series, difluorophenyl, production scale, permeability, species, classification, candidate, identification, 9 k, Soluble σ 1 Receptor Antagonist Cli., EST, Pain Management, Caco -2 cells, solubility, pyrazole, antagonist, compound 9 k, stability

Relation: https://figshare.com/articles/dataset/EST64454_a_Highly_Soluble_sub_1_sub_Receptor_Antagonist_Clinical_Candidate_for_Pain_Management/13288757

الاتاحة: https://doi.org/10.1021/acs.jmedchem.0c01575.s002

المؤلفون: José Luis Díaz (9690464), Félix Cuevas (10151766), Gonzalo Pazos (10151769), Paula Álvarez-Bercedo (2244268), Ana I. Oliva (2442925), M. Ángeles Sarmentero (10151772), Daniel Font (2294200), Agustín Jiménez-Aquino (2384737), María Morón (10151775), Adriana Port (1638046), Rosalía Pascual (8086499), Albert Dordal (10151778), Enrique Portillo-Salido (1859692), Raquel F. Reinoso (1960381), José Miguel Vela (1638055), Carmen Almansa (1638043)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Physiology, Biotechnology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, NET pharmacophores, Norepinephrine Transporter, 2- ethylamino -9-methyl H, 3- methylamino -1-thiophenylpropoxy., NET functionality, Alternative bicyclic frameworks, Voltage-Gated Calcium Channels, attachment, 3- methylamino -1-phenylpropoxy, ADMET properties, α2δ-1 subunit, phenyl ring, Dual Ligands, v α2δ-1 scaffold, Bicyclic Diazepinones

Relation: https://figshare.com/articles/journal_contribution/Bicyclic_Diazepinones_as_Dual_Ligands_of_the_2_1_Subunit_of_Voltage-Gated_Calcium_Channels_and_the_Norepinephrine_Transporter/14043579

الاتاحة: https://doi.org/10.1021/acs.jmedchem.0c01867.s001

المؤلفون: José Luis Díaz (9690464), Félix Cuevas (10151766), Gonzalo Pazos (10151769), Paula Álvarez-Bercedo (2244268), Ana I. Oliva (2442925), M. Ángeles Sarmentero (10151772), Daniel Font (2294200), Agustín Jiménez-Aquino (2384737), María Morón (10151775), Adriana Port (1638046), Rosalía Pascual (8086499), Albert Dordal (10151778), Enrique Portillo-Salido (1859692), Raquel F. Reinoso (1960381), José Miguel Vela (1638055), Carmen Almansa (1638043)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Physiology, Biotechnology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, NET pharmacophores, Norepinephrine Transporter, 2- ethylamino -9-methyl H, 3- methylamino -1-thiophenylpropoxy., NET functionality, Alternative bicyclic frameworks, Voltage-Gated Calcium Channels, attachment, 3- methylamino -1-phenylpropoxy, ADMET properties, α2δ-1 subunit, phenyl ring, Dual Ligands, v α2δ-1 scaffold, Bicyclic Diazepinones

Relation: https://figshare.com/articles/dataset/Bicyclic_Diazepinones_as_Dual_Ligands_of_the_2_1_Subunit_of_Voltage-Gated_Calcium_Channels_and_the_Norepinephrine_Transporter/14043582

الاتاحة: https://doi.org/10.1021/acs.jmedchem.0c01867.s002

المؤلفون: José Luis Díaz (9690464), Félix Cuevas (10151766), Gonzalo Pazos (10151769), Paula Álvarez-Bercedo (2244268), Ana I. Oliva (2442925), M. Ángeles Sarmentero (10151772), Daniel Font (2294200), Agustín Jiménez-Aquino (2384737), María Morón (10151775), Adriana Port (1638046), Rosalía Pascual (8086499), Albert Dordal (10151778), Enrique Portillo-Salido (1859692), Raquel F. Reinoso (1960381), José Miguel Vela (1638055), Carmen Almansa (1638043)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Physiology, Biotechnology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, NET pharmacophores, Norepinephrine Transporter, 2- ethylamino -9-methyl H, 3- methylamino -1-thiophenylpropoxy., NET functionality, Alternative bicyclic frameworks, Voltage-Gated Calcium Channels, attachment, 3- methylamino -1-phenylpropoxy, ADMET properties, α2δ-1 subunit, phenyl ring, Dual Ligands, v α2δ-1 scaffold, Bicyclic Diazepinones

Relation: https://figshare.com/articles/dataset/Bicyclic_Diazepinones_as_Dual_Ligands_of_the_2_1_Subunit_of_Voltage-Gated_Calcium_Channels_and_the_Norepinephrine_Transporter/14043585

الاتاحة: https://doi.org/10.1021/acs.jmedchem.0c01867.s003