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: Marian Vincenzi, Katarzyna Bednarska, Zbigniew J. Leśnikowski

المصدر: Molecules; Volume 23; Issue 8; Pages: 1846

مصطلحات موضوعية: in silico screening, adenosine, boron cluster, adenosine receptors, AR ligands

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Medicinal Chemistry; https://dx.doi.org/10.3390/molecules23081846

الاتاحة: https://doi.org/10.3390/molecules23081846

المؤلفون: Katarzyna Bednarska, Marian Vincenzi, Zbigniew J. Leśnikowski

المصدر: Molecules, Vol 23, Iss 8, p 1846 (2018)
Molecules
Volume 23
Issue 8
Molecules : A Journal of Synthetic Chemistry and Natural Product Chemistry

مصطلحات موضوعية: 0301 basic medicine, Protein Conformation, Stereochemistry, In silico, in silico screening, Pharmaceutical Science, Ligands, Article, Analytical Chemistry, lcsh:QD241-441, Radioligand Assay, Structure-Activity Relationship, 03 medical and health sciences, chemistry.chemical_compound, lcsh:Organic chemistry, Drug Discovery, Radioligand, medicine, Humans, Phenyl group, Computer Simulation, Physical and Theoretical Chemistry, Boranes, Receptor, Virtual screening, Binding Sites, Molecular Structure, Receptors, Adenosine A2, Receptor, Adenosine A3, Organic Chemistry, Ligand (biochemistry), Adenosine receptor, Adenosine, adenosine receptors, Molecular Docking Simulation, boron cluster, 030104 developmental biology, chemistry, Chemistry (miscellaneous), adenosine, Molecular Medicine, AR ligands, HeLa Cells, Protein Binding, medicine.drug

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bb369ca104f9d9b99270194e156cdd31
http://www.mdpi.com/1420-3049/23/8/1846

المؤلفون: Ettore Novellino, Barbara Cosimelli, Giovanni Greco, Sabrina Taliani, Federico Da Settimo, Claudia Martini, Maria Letizia Trincavelli, Sonia Laneri, Chiara Giacomelli, Antonia Sacchi

المساهمون: Cosimelli, Barbara, Greco, Giovanni, Laneri, Sonia, Novellino, Ettore, Sacchi, Antonia, Trincavelli, Maria Letizia, Giacomelli, Chiara, Taliani, Sabrina, Da Settimo, Federico, Martini, Claudia

مصطلحات موضوعية: 0301 basic medicine, Agonist, 4-amino-6-alkyloxy-2-alkylthiopyrimidine derivatives, A1 adenosine receptor, A1 AR agonists, A1 AR efficacy, A1 AR ligands, non-nucleoside adenosine receptor agonists, Biochemistry, Molecular Medicine, medicine.drug_class, Stereochemistry, A1 AR ligands, 01 natural sciences, Biochemistry, 03 medical and health sciences, Adenosine A1 receptor, Drug Discovery, medicine, A1 AR agonists, Receptor, EC50, Pharmacology, non-nucleoside adenosine receptor agonists, 4-amino-6-alkyloxy-2-alkylthiopyrimidine derivatives, Chemistry, A1 adenosine receptor, Organic Chemistry, A1 AR efficacy, Adenosine receptor, 0104 chemical sciences, 010404 medicinal & biomolecular chemistry, 030104 developmental biology, Molecular Medicine, Nucleoside, Adenosine A2B receptor, Intracellular

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c8eb8276207c5f1b1f13fcbb8036a6fc
http://hdl.handle.net/11588/649429

المؤلفون: COSIMELLI, BARBARA, GRECO, GIOVANNI, LANERI, SONIA, NOVELLINO, ETTORE, SACCHI, ANTONIA, Trincavelli, Maria Letizia, Giacomelli, Chiara, Taliani, Sabrina, Da Settimo, Federico, Martini, Claudia

المساهمون: Cosimelli, Barbara, Greco, Giovanni, Laneri, Sonia, Novellino, Ettore, Sacchi, Antonia, Trincavelli, Maria Letizia, Giacomelli, Chiara, Taliani, Sabrina, Da Settimo, Federico, Martini, Claudia

مصطلحات موضوعية: 4-amino-6-alkyloxy-2-alkylthiopyrimidine derivatives, A1 adenosine receptor, A1 AR agonists, A1 AR efficacy, A1 AR ligands, non-nucleoside adenosine receptor agonists, Biochemistry, Molecular Medicine

Relation: info:eu-repo/semantics/altIdentifier/wos/WOS:000386065500009; volume:88; issue:5; firstpage:724; lastpage:729; numberofpages:6; journal:CHEMICAL BIOLOGY & DRUG DESIGN; http://hdl.handle.net/11588/649429; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-84990178626; http://www.wiley.com/bw/journal.asp?ref=1747-0277

الاتاحة: http://hdl.handle.net/11588/649429
https://doi.org/10.1111/cbdd.12801
http://www.wiley.com/bw/journal.asp?ref=1747-0277

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