المؤلفون: Cristina Val (1938613), Carlos Rodríguez-García (9924829), Rubén Prieto-Díaz (9095502), Abel Crespo (1406602), Jhonny Azuaje (1406590), Carlos Carbajales (1406611), Maria Majellaro (9095505), Alejandro Díaz-Holguín (11988616), José M. Brea (5446589), Maria Isabel Loza (7322198), Claudia Gioé-Gallo (11926527), Marialessandra Contino (2060335), Angela Stefanachi (342742), Xerardo García-Mera (1406593), Juan C. Estévez (4774377), Hugo Gutiérrez-de-Terán (1373487), Eddy Sotelo (1406587)

مصطلحات موضوعية: Biochemistry, Cell Biology, Molecular Biology, Evolutionary Biology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, structure – activity, methyl group introduced, driven docking model, chemical space allowing, exocyclic amino group, 2a , 1 , 2 ‑ amino, 6 , 4 , 108 2, structurally simple, selectivity profile, pyrimidine derivatives, pyrimidine core, prominent role, prominent features, preliminarilly evaluated, pharmacokinetic parameters, large collection, herein document, efficient three

Relation: https://figshare.com/articles/journal_contribution/Optimization_of_2_Amino-4_6-diarylpyrimidine-5-carbonitriles_as_Potent_and_Selective_A_sub_1_sub_Antagonists/18865819

الاتاحة: https://doi.org/10.1021/acs.jmedchem.1c01636.s003

المؤلفون: Darío Miranda-Pastoriza (10952899), Rodrigo Bernárdez (1415179), Jhonny Azuaje (1406590), Rubén Prieto-Díaz (9095502), Maria Majellaro (9095505), Ashish V. Tamhankar (11926521), Lucien Koenekoop (11926524), Alejandro González (1730833), Claudia Gioé-Gallo (11926527), Ana Mallo-Abreu (7465889), José Brea (1688065), M. Isabel Loza (7165664), Aitor García-Rey (10952896), Xerardo García-Mera (1406593), Hugo Gutiérrez-de-Terán (1373487), Eddy Sotelo (1406587)

مصطلحات موضوعية: Biochemistry, Neuroscience, Pharmacology, Evolutionary Biology, Ecology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, succinct synthetic approach, including covalent drugs, experimentally demonstrated tolerability, molecular dynamics simulations, explore newly functionalized, orthosteric interactions within, orthosteric interactions explored, ar orthosteric site, 3 , ar selective pyrimidine, orthosteric interactions, prototypical orthosteric, molecular probes, ar ligands, ar antagonist, explore non, structural functionalization, selective profile, results pave, original scaffold, novel ligands

Relation: https://figshare.com/articles/journal_contribution/Exploring_Non-orthosteric_Interactions_with_a_Series_of_Potent_and_Selective_A_sub_3_sub_Antagonists/18124653

الاتاحة: https://doi.org/10.1021/acsmedchemlett.1c00598.s001

المؤلفون: Ivo E. Sampaio-Dias (6293594), Miguel Santejo (11425488), Sara C. Silva-Reis (7148441), Márcia A. Liz (11425491), Cristina Alcoholado (5620145), Manuel Algarra (2743906), Xerardo García-Mera (1406593), José E. Rodríguez-Borges (7148444)

مصطلحات موضوعية: Medicine, Cell Biology, Neuroscience, Biotechnology, Cancer, Science Policy, Chemical Sciences not elsewhere classified, safe toxicological profile, neuroprotection assays carried, central nervous system, biologically evaluated using, global health burden, human neuroblastoma sh, carbonyl ]- l, 7 – 40, health priority, remarkable percentage, pipecolic acid, people worldwide, new analogues, neuroprotective drugs, hybrid construct, glutamic acid, developing countries, carboxylic acid, biological evaluation, >, 100 μm, 0 %

Time: 4

Relation: https://figshare.com/articles/journal_contribution/Design_Synthesis_and_Biological_Evaluation_of_Hybrid_Glypromate_Analogues_Using_2_Azanorbornane_as_a_Prolyl_and_Pipecolyl_Surrogate/16610913

الاتاحة: https://doi.org/10.1021/acschemneuro.1c00339.s001

المؤلفون: Ana Mallo-Abreu (7465889), Irene Reyes-Resina (6085862), Jhonny Azuaje (1406590), Rafael Franco (111866), Aitor García-Rey (10952896), Maria Majellaro (9095505), Darío Miranda-Pastoriza (10952899), Xerardo García-Mera (1406593), Willem Jespers (3138927), Hugo Gutiérrez-de-Terán (1373487), Gemma Navarro (403990), Eddy Sotelo (1406587)

مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Pharmacology, Evolutionary Biology, Cancer, Infectious Diseases, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, phenyl-piperazine scaffold, DRD 2 crystal structures, subtype selectivity, Ugi-Based Approach, Subtype-Selective Dopamine D 2 Rece., subtype-selective DRD 2, compound series, DRD 2 affinity, pharmacophore, multicomponent method, β- arrestin, ligand, 29 c, selectivity profile

Relation: https://figshare.com/articles/journal_contribution/Potent_and_Subtype-Selective_Dopamine_D_sub_2_sub_Receptor_Biased_Partial_Agonists_Discovered_via_an_Ugi-Based_Approach/14762413

الاتاحة: https://doi.org/10.1021/acs.jmedchem.1c00704.s001

المؤلفون: Ivo E. Sampaio-Dias (6293594), Ana Reis-Mendes (10661897), Vera Marisa Costa (9714620), Xerardo García-Mera (1406593), José Brea (1688065), María Isabel Loza (1730845), Beatriz L. Pires-Lima (10661900), Cristina Alcoholado (5620145), Manuel Algarra (2743906), José E. Rodríguez-Borges (7148444)

مصطلحات موضوعية: Biochemistry, Medicine, Genetics, Neuroscience, Pharmacology, Infectious Diseases, Space Science, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, 3- furoyl-l-leucylglycinamide, MIF, non-motor fluctuations, C-terminal carboxamide moiety, Conformational analysis, allosteric modulator, type II β-, PD, novel class, Allosteric Modulators, Melanostatin Neuropeptide, 3- Fu, 3- furoic acid, PAM activity, anti-Parkinson therapeutics, D 2 R, D 2 receptors, D 2 R potentiation, methyl 3- furoyl-l-leucylglycinate, toxicological profile, Bioisosteric Replacement

Relation: https://figshare.com/articles/journal_contribution/Discovery_of_New_Potent_Positive_Allosteric_Modulators_of_Dopamine_D_sub_2_sub_Receptors_Insights_into_the_Bioisosteric_Replacement_of_Proline_to_3_Furoic_Acid_in_the_Melanostatin_Neuropeptide/14442515

الاتاحة: https://doi.org/10.1021/acs.jmedchem.1c00252.s001

المؤلفون: Cristina Val (1938613), Carlos Rodríguez-García (9924829), Rubén Prieto-Díaz (9095502), Abel Crespo (1406602), Jhonny Azuaje (1406590), Carlos Carbajales (1406611), Maria Majellaro (9095505), Alejandro Díaz-Holguín (11988616), José M. Brea (5446589), Maria Isabel Loza (7322198), Claudia Gioé-Gallo (11926527), Marialessandra Contino (2060335), Angela Stefanachi (342742), Xerardo García-Mera (1406593), Juan C. Estévez (4774377), Hugo Gutiérrez-de-Terán (1373487), Eddy Sotelo (1406587)

مصطلحات موضوعية: Biochemistry, Cell Biology, Molecular Biology, Evolutionary Biology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, structure – activity, methyl group introduced, driven docking model, chemical space allowing, exocyclic amino group, 2a , 1 , 2 ‑ amino, 6 , 4 , 108 2, structurally simple, selectivity profile, pyrimidine derivatives, pyrimidine core, prominent role, prominent features, preliminarilly evaluated, pharmacokinetic parameters, large collection, herein document, efficient three

Relation: https://figshare.com/articles/dataset/Optimization_of_2_Amino-4_6-diarylpyrimidine-5-carbonitriles_as_Potent_and_Selective_A_sub_1_sub_Antagonists/18865816

الاتاحة: https://doi.org/10.1021/acs.jmedchem.1c01636.s002

المؤلفون: Cristina Val (1938613), Carlos Rodríguez-García (9924829), Rubén Prieto-Díaz (9095502), Abel Crespo (1406602), Jhonny Azuaje (1406590), Carlos Carbajales (1406611), Maria Majellaro (9095505), Alejandro Díaz-Holguín (11988616), José M. Brea (5446589), Maria Isabel Loza (7322198), Claudia Gioé-Gallo (11926527), Marialessandra Contino (2060335), Angela Stefanachi (342742), Xerardo García-Mera (1406593), Juan C. Estévez (4774377), Hugo Gutiérrez-de-Terán (1373487), Eddy Sotelo (1406587)

مصطلحات موضوعية: Biochemistry, Cell Biology, Molecular Biology, Evolutionary Biology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, structure – activity, methyl group introduced, driven docking model, chemical space allowing, exocyclic amino group, 2a , 1 , 2 ‑ amino, 6 , 4 , 108 2, structurally simple, selectivity profile, pyrimidine derivatives, pyrimidine core, prominent role, prominent features, preliminarilly evaluated, pharmacokinetic parameters, large collection, herein document, efficient three

Relation: https://figshare.com/articles/dataset/Optimization_of_2_Amino-4_6-diarylpyrimidine-5-carbonitriles_as_Potent_and_Selective_A_sub_1_sub_Antagonists/18865813

الاتاحة: https://doi.org/10.1021/acs.jmedchem.1c01636.s001

المؤلفون: Darío Miranda-Pastoriza (10952899), Rodrigo Bernárdez (1415179), Jhonny Azuaje (1406590), Rubén Prieto-Díaz (9095502), Maria Majellaro (9095505), Ashish V. Tamhankar (11926521), Lucien Koenekoop (11926524), Alejandro González (1730833), Claudia Gioé-Gallo (11926527), Ana Mallo-Abreu (7465889), José Brea (1688065), M. Isabel Loza (7165664), Aitor García-Rey (10952896), Xerardo García-Mera (1406593), Hugo Gutiérrez-de-Terán (1373487), Eddy Sotelo (1406587)

مصطلحات موضوعية: Biochemistry, Neuroscience, Pharmacology, Evolutionary Biology, Ecology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, succinct synthetic approach, including covalent drugs, experimentally demonstrated tolerability, molecular dynamics simulations, explore newly functionalized, orthosteric interactions within, orthosteric interactions explored, ar orthosteric site, 3 , ar selective pyrimidine, orthosteric interactions, prototypical orthosteric, molecular probes, ar ligands, ar antagonist, explore non, structural functionalization, selective profile, results pave, original scaffold, novel ligands

Relation: https://figshare.com/articles/dataset/Exploring_Non-orthosteric_Interactions_with_a_Series_of_Potent_and_Selective_A_sub_3_sub_Antagonists/18124656

الاتاحة: https://doi.org/10.1021/acsmedchemlett.1c00598.s002

المؤلفون: Ana Mallo-Abreu (7465889), Irene Reyes-Resina (6085862), Jhonny Azuaje (1406590), Rafael Franco (111866), Aitor García-Rey (10952896), Maria Majellaro (9095505), Darío Miranda-Pastoriza (10952899), Xerardo García-Mera (1406593), Willem Jespers (3138927), Hugo Gutiérrez-de-Terán (1373487), Gemma Navarro (403990), Eddy Sotelo (1406587)

مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Pharmacology, Evolutionary Biology, Cancer, Infectious Diseases, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, phenyl-piperazine scaffold, DRD 2 crystal structures, subtype selectivity, Ugi-Based Approach, Subtype-Selective Dopamine D 2 Rece., subtype-selective DRD 2, compound series, DRD 2 affinity, pharmacophore, multicomponent method, β- arrestin, ligand, 29 c, selectivity profile

Relation: https://figshare.com/articles/dataset/Potent_and_Subtype-Selective_Dopamine_D_sub_2_sub_Receptor_Biased_Partial_Agonists_Discovered_via_an_Ugi-Based_Approach/14762422

الاتاحة: https://doi.org/10.1021/acs.jmedchem.1c00704.s004

المؤلفون: Ana Mallo-Abreu (7465889), Irene Reyes-Resina (6085862), Jhonny Azuaje (1406590), Rafael Franco (111866), Aitor García-Rey (10952896), Maria Majellaro (9095505), Darío Miranda-Pastoriza (10952899), Xerardo García-Mera (1406593), Willem Jespers (3138927), Hugo Gutiérrez-de-Terán (1373487), Gemma Navarro (403990), Eddy Sotelo (1406587)

مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Pharmacology, Evolutionary Biology, Cancer, Infectious Diseases, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, phenyl-piperazine scaffold, DRD 2 crystal structures, subtype selectivity, Ugi-Based Approach, Subtype-Selective Dopamine D 2 Rece., subtype-selective DRD 2, compound series, DRD 2 affinity, pharmacophore, multicomponent method, β- arrestin, ligand, 29 c, selectivity profile

Relation: https://figshare.com/articles/dataset/Potent_and_Subtype-Selective_Dopamine_D_sub_2_sub_Receptor_Biased_Partial_Agonists_Discovered_via_an_Ugi-Based_Approach/14762419

الاتاحة: https://doi.org/10.1021/acs.jmedchem.1c00704.s003

المؤلفون: Ivo E. Sampaio-Dias (6293594), Ana Reis-Mendes (10661897), Vera Marisa Costa (9714620), Xerardo García-Mera (1406593), José Brea (1688065), María Isabel Loza (1730845), Beatriz L. Pires-Lima (10661900), Cristina Alcoholado (5620145), Manuel Algarra (2743906), José E. Rodríguez-Borges (7148444)

مصطلحات موضوعية: Biochemistry, Medicine, Genetics, Neuroscience, Pharmacology, Infectious Diseases, Space Science, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, 3- furoyl-l-leucylglycinamide, MIF, non-motor fluctuations, C-terminal carboxamide moiety, Conformational analysis, allosteric modulator, type II β-, PD, novel class, Allosteric Modulators, Melanostatin Neuropeptide, 3- Fu, 3- furoic acid, PAM activity, anti-Parkinson therapeutics, D 2 R, D 2 receptors, D 2 R potentiation, methyl 3- furoyl-l-leucylglycinate, toxicological profile, Bioisosteric Replacement

Relation: https://figshare.com/articles/dataset/Discovery_of_New_Potent_Positive_Allosteric_Modulators_of_Dopamine_D_sub_2_sub_Receptors_Insights_into_the_Bioisosteric_Replacement_of_Proline_to_3_Furoic_Acid_in_the_Melanostatin_Neuropeptide/14442518

الاتاحة: https://doi.org/10.1021/acs.jmedchem.1c00252.s002

المؤلفون: Rubén Prieto-Díaz (9095502), Manuel González-Gómez (1406605), Hugo Fojo-Carballo (14260424), Jhonny Azuaje (1406590), Abdelaziz El Maatougui (9924838), Maria Majellaro (9095505), María I. Loza (2414992), José Brea (1688065), Víctor Fernández-Dueñas (1339116), M. Rita Paleo (1608643), Alejandro Díaz-Holguín (11988616), Beatriz Garcia-Pinel (9277955), Ana Mallo-Abreu (7465889), Juan C. Estévez (4774377), Antonio Andújar-Arias (14260427), Xerardo García-Mera (1406593), Iria Gomez-Tourino (9214841), Francisco Ciruela (394194), Cristian O. Salas (2880605), Hugo Gutiérrez-de-Terán (1373487), Eddy Sotelo (1406587)

مصطلحات موضوعية: Biochemistry, Neuroscience, Pharmacology, Biotechnology, Evolutionary Biology, Immunology, Chemical Sciences not elsewhere classified, two compounds showed, immune checkpoint inhibitors, ar ligands irrespective, eutomers eliciting sub, >< sub ><, ar antagonists emerging, mono -)­ halogenation, 2b , adenosine receptor antagonists, ar antagonists, adenosine receptor, >, ar affinity, systematic assessment, promising strategy, positions 7, position 7, pharmacokinetic properties, pharmacokinetic profile, microsomal stability, k <, enantioselective recognition, eight novel

Relation: https://figshare.com/articles/journal_contribution/Exploring_the_Effect_of_Halogenation_in_a_Series_of_Potent_and_Selective_A_sub_2B_sub_Adenosine_Receptor_Antagonists/21728558

الاتاحة: https://doi.org/10.1021/acs.jmedchem.2c01768.s003

المؤلفون: Rubén Prieto-Díaz (9095502), Manuel González-Gómez (1406605), Hugo Fojo-Carballo (14260424), Jhonny Azuaje (1406590), Abdelaziz El Maatougui (9924838), Maria Majellaro (9095505), María I. Loza (2414992), José Brea (1688065), Víctor Fernández-Dueñas (1339116), M. Rita Paleo (1608643), Alejandro Díaz-Holguín (11988616), Beatriz Garcia-Pinel (9277955), Ana Mallo-Abreu (7465889), Juan C. Estévez (4774377), Antonio Andújar-Arias (14260427), Xerardo García-Mera (1406593), Iria Gomez-Tourino (9214841), Francisco Ciruela (394194), Cristian O. Salas (2880605), Hugo Gutiérrez-de-Terán (1373487), Eddy Sotelo (1406587)

مصطلحات موضوعية: Biochemistry, Neuroscience, Pharmacology, Biotechnology, Evolutionary Biology, Immunology, Chemical Sciences not elsewhere classified, two compounds showed, immune checkpoint inhibitors, ar ligands irrespective, eutomers eliciting sub, >< sub ><, ar antagonists emerging, mono -)­ halogenation, 2b , adenosine receptor antagonists, ar antagonists, adenosine receptor, >, ar affinity, systematic assessment, promising strategy, positions 7, position 7, pharmacokinetic properties, pharmacokinetic profile, microsomal stability, k <, enantioselective recognition, eight novel

Relation: https://figshare.com/articles/dataset/Exploring_the_Effect_of_Halogenation_in_a_Series_of_Potent_and_Selective_A_sub_2B_sub_Adenosine_Receptor_Antagonists/21728555

الاتاحة: https://doi.org/10.1021/acs.jmedchem.2c01768.s002

المؤلفون: Rubén Prieto-Díaz (9095502), Manuel González-Gómez (1406605), Hugo Fojo-Carballo (14260424), Jhonny Azuaje (1406590), Abdelaziz El Maatougui (9924838), Maria Majellaro (9095505), María I. Loza (2414992), José Brea (1688065), Víctor Fernández-Dueñas (1339116), M. Rita Paleo (1608643), Alejandro Díaz-Holguín (11988616), Beatriz Garcia-Pinel (9277955), Ana Mallo-Abreu (7465889), Juan C. Estévez (4774377), Antonio Andújar-Arias (14260427), Xerardo García-Mera (1406593), Iria Gomez-Tourino (9214841), Francisco Ciruela (394194), Cristian O. Salas (2880605), Hugo Gutiérrez-de-Terán (1373487), Eddy Sotelo (1406587)

مصطلحات موضوعية: Biochemistry, Neuroscience, Pharmacology, Biotechnology, Evolutionary Biology, Immunology, Chemical Sciences not elsewhere classified, two compounds showed, immune checkpoint inhibitors, ar ligands irrespective, eutomers eliciting sub, >< sub ><, ar antagonists emerging, mono -)­ halogenation, 2b , adenosine receptor antagonists, ar antagonists, adenosine receptor, >, ar affinity, systematic assessment, promising strategy, positions 7, position 7, pharmacokinetic properties, pharmacokinetic profile, microsomal stability, k <, enantioselective recognition, eight novel

Relation: https://figshare.com/articles/dataset/Exploring_the_Effect_of_Halogenation_in_a_Series_of_Potent_and_Selective_A_sub_2B_sub_Adenosine_Receptor_Antagonists/21728552

الاتاحة: https://doi.org/10.1021/acs.jmedchem.2c01768.s001