المؤلفون: Wen Z; Molecular Recognition Section, Laboratory of Bioorganic Chemistry, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892, United States., Salmaso V; Molecular Recognition Section, Laboratory of Bioorganic Chemistry, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892, United States., Jung YH; Molecular Recognition Section, Laboratory of Bioorganic Chemistry, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892, United States., Phung NB; Molecular Recognition Section, Laboratory of Bioorganic Chemistry, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892, United States., Gopinatth V; Molecular Recognition Section, Laboratory of Bioorganic Chemistry, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892, United States., Shah Q; Molecular Recognition Section, Laboratory of Bioorganic Chemistry, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892, United States., Patterson AT; Molecular Recognition Section, Laboratory of Bioorganic Chemistry, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892, United States., Randle JCR; Random Walk Ventures, LLC, 108 Lincoln Street Unit 6B, Boston, Massachusetts 02111, United States., Chen Z; Department of Pharmacology and Physiology and the Henry and Amelia Nasrallah Center for Neuroscience, Saint Louis University School of Medicine, 1402 South Grand Boulevard, St. Louis, Missouri 63104, United States., Salvemini D; Department of Pharmacology and Physiology and the Henry and Amelia Nasrallah Center for Neuroscience, Saint Louis University School of Medicine, 1402 South Grand Boulevard, St. Louis, Missouri 63104, United States., Lieberman DI; Molecular Recognition Section, Laboratory of Bioorganic Chemistry, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892, United States., Whitehead GS; Immunity, Inflammation and Disease Laboratory, National Institute of Environmental Health Sciences, National Institutes of Health, Research Triangle Park, North Carolina 27709, United States., Karcz TP; Immunity, Inflammation and Disease Laboratory, National Institute of Environmental Health Sciences, National Institutes of Health, Research Triangle Park, North Carolina 27709, United States., Cook DN; Immunity, Inflammation and Disease Laboratory, National Institute of Environmental Health Sciences, National Institutes of Health, Research Triangle Park, North Carolina 27709, United States., Jacobson KA; Molecular Recognition Section, Laboratory of Bioorganic Chemistry, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892, United States.

المصدر: Journal of medicinal chemistry [J Med Chem] 2022 Feb 24; Vol. 65 (4), pp. 3434-3459. Date of Electronic Publication: 2022 Feb 03.

نوع المنشور: Journal Article; Research Support, N.I.H., Extramural; Research Support, N.I.H., Intramural

بيانات الدورية: Publisher: American Chemical Society Country of Publication: United States NLM ID: 9716531 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-4804 (Electronic) Linking ISSN: 00222623 NLM ISO Abbreviation: J Med Chem Subsets: MEDLINE

مواضيع طبية MeSH: Piperidines/*chemistry , Purinergic P2 Receptor Antagonists/*pharmacology, Animals ; Mice ; Purinergic P2 Receptor Antagonists/chemistry ; Structure-Activity Relationship

المؤلفون: Jung YH; Molecular Recognition Section, Laboratory of Bioorganic Chemistry, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892, United States., Salmaso V; Molecular Recognition Section, Laboratory of Bioorganic Chemistry, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892, United States., Wen Z; Molecular Recognition Section, Laboratory of Bioorganic Chemistry, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892, United States., Bennett JM; Molecular Recognition Section, Laboratory of Bioorganic Chemistry, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892, United States., Phung NB; Molecular Recognition Section, Laboratory of Bioorganic Chemistry, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892, United States., Lieberman DI; Molecular Recognition Section, Laboratory of Bioorganic Chemistry, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892, United States., Gopinatth V; Molecular Recognition Section, Laboratory of Bioorganic Chemistry, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892, United States., Randle JCR; Random Walk Ventures, LLC, 108 Lincoln Street Unit 6B, Boston, Massachusetts 02111, United States., Chen Z; Department of Pharmacology and Physiology and the Henry and Amelia Nasrallah Center for Neuroscience, Saint Louis University School of Medicine, 1402 South Grand Blvd., St. Louis, Missouri 63104, United States., Salvemini D; Department of Pharmacology and Physiology and the Henry and Amelia Nasrallah Center for Neuroscience, Saint Louis University School of Medicine, 1402 South Grand Blvd., St. Louis, Missouri 63104, United States., Karcz TP; Immunity, Inflammation and Disease Laboratory, National Institute of Environmental Health Sciences, National Institutes of Health, Research Triangle Park, Durham, North Carolina 27709, United States., Cook DN; Immunity, Inflammation and Disease Laboratory, National Institute of Environmental Health Sciences, National Institutes of Health, Research Triangle Park, Durham, North Carolina 27709, United States., Jacobson KA; Molecular Recognition Section, Laboratory of Bioorganic Chemistry, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892, United States.

المصدر: Journal of medicinal chemistry [J Med Chem] 2021 Apr 22; Vol. 64 (8), pp. 5099-5122. Date of Electronic Publication: 2021 Mar 31.

نوع المنشور: Journal Article; Research Support, N.I.H., Extramural; Research Support, N.I.H., Intramural

بيانات الدورية: Publisher: American Chemical Society Country of Publication: United States NLM ID: 9716531 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-4804 (Electronic) Linking ISSN: 00222623 NLM ISO Abbreviation: J Med Chem Subsets: MEDLINE

مواضيع طبية MeSH: Piperidines/*chemistry , Purinergic P2 Receptor Antagonists/*chemistry , Receptors, Purinergic P2/*metabolism, Animals ; Binding Sites ; Disease Models, Animal ; Drug Design ; Humans ; Mice ; Molecular Docking Simulation ; Molecular Dynamics Simulation ; Neuralgia/drug therapy ; Piperidines/metabolism ; Prodrugs/chemistry ; Prodrugs/metabolism ; Purinergic P2 Receptor Antagonists/metabolism ; Purinergic P2 Receptor Antagonists/therapeutic use ; Receptors, Purinergic P2/chemistry ; Receptors, Purinergic P2/genetics ; Solubility ; Structure-Activity Relationship ; Triazoles/chemistry

المؤلفون: Tosh DK, Salmaso V, Rao H, Bitant A; Department of Pharmacology, Medical College of Wisconsin, 8701 Watertown Plank Road, Milwaukee, Wisconsin 53226, United States., Fisher CL; Department of Pharmacology, Medical College of Wisconsin, 8701 Watertown Plank Road, Milwaukee, Wisconsin 53226, United States., Lieberman DI, Vorbrüggen H; Institut für Chemie und Biochemie, Freie Universität, Takustraße 3, D-14195 Berlin, Germany., Reitman ML, Gavrilova O, Gao ZG, Auchampach JA; Department of Pharmacology, Medical College of Wisconsin, 8701 Watertown Plank Road, Milwaukee, Wisconsin 53226, United States., Jacobson KA

المصدر: Journal of medicinal chemistry [J Med Chem] 2020 Apr 23; Vol. 63 (8), pp. 4334-4348. Date of Electronic Publication: 2020 Apr 09.

نوع المنشور: Journal Article; Research Support, N.I.H., Extramural; Research Support, N.I.H., Intramural

بيانات الدورية: Publisher: American Chemical Society Country of Publication: United States NLM ID: 9716531 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-4804 (Electronic) Linking ISSN: 00222623 NLM ISO Abbreviation: J Med Chem Subsets: MEDLINE

مواضيع طبية MeSH: Adenosine A3 Receptor Agonists/*chemistry , Adenosine A3 Receptor Agonists/*metabolism , Nucleosides/*chemistry , Nucleosides/*metabolism , Receptor, Adenosine A3/*chemistry , Receptor, Adenosine A3/*metabolism, Adenosine A3 Receptor Agonists/pharmacology ; Animals ; Dose-Response Relationship, Drug ; HEK293 Cells ; Humans ; Male ; Mice ; Mice, Inbred C57BL ; Mice, Knockout ; Nucleosides/pharmacology ; Protein Binding/drug effects ; Protein Binding/physiology ; Protein Structure, Secondary

المؤلفون: Ciancetta A; Molecular Recognition Section, Laboratory of Bioorganic Chemistry, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, MD, 20892, USA. a.ciancetta@sygnaturediscovery.com.; Sygnature Discovery, Nottingham, UK. a.ciancetta@sygnaturediscovery.com., Rubio P; Molecular Recognition Section, Laboratory of Bioorganic Chemistry, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, MD, 20892, USA., Lieberman DI; Molecular Recognition Section, Laboratory of Bioorganic Chemistry, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, MD, 20892, USA., Jacobson KA; Molecular Recognition Section, Laboratory of Bioorganic Chemistry, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, MD, 20892, USA. kennethj@niddk.nih.gov.

المصدر: Journal of computer-aided molecular design [J Comput Aided Mol Des] 2019 Nov; Vol. 33 (11), pp. 983-996. Date of Electronic Publication: 2019 Nov 22.

نوع المنشور: Journal Article; Research Support, N.I.H., Intramural; Research Support, Non-U.S. Gov't

بيانات الدورية: Publisher: Springer Country of Publication: Netherlands NLM ID: 8710425 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1573-4951 (Electronic) Linking ISSN: 0920654X NLM ISO Abbreviation: J Comput Aided Mol Des Subsets: MEDLINE

مواضيع طبية MeSH: Receptor, Adenosine A3/*metabolism, Humans ; Molecular Dynamics Simulation ; Mutagenesis, Site-Directed ; Mutation ; Protein Conformation ; Receptor, Adenosine A3/chemistry ; Receptor, Adenosine A3/genetics

المؤلفون: Tosh DK, Rao H, Bitant A; Department of Pharmacology , Medical College of Wisconsin , 8701 Watertown Plank Road , Milwaukee , Wisconsin 53226 , United States., Salmaso V, Mannes P, Lieberman DI, Vaughan KL; SoBran BioSciences , SoBran, Inc. , 4000 Blackburn Lane , Burtonsville , Maryland 20866 , United States.; Translational Gerontology Branch , National Institute on Aging Intramural Research Program , 16701 Elmer School Road, Building 103 , Dickerson , Maryland 20842 , United States., Mattison JA; Translational Gerontology Branch , National Institute on Aging Intramural Research Program , 16701 Elmer School Road, Building 103 , Dickerson , Maryland 20842 , United States., Rothwell AC; Department of Pharmacology , Medical College of Wisconsin , 8701 Watertown Plank Road , Milwaukee , Wisconsin 53226 , United States., Auchampach JA; Department of Pharmacology , Medical College of Wisconsin , 8701 Watertown Plank Road , Milwaukee , Wisconsin 53226 , United States., Ciancetta A; School of Pharmacy , Queen's University Belfast , 96 Lisburn Road , Belfast BT9 7BL , U.K., Liu N, Cui Z, Gao ZG, Reitman ML, Gavrilova O, Jacobson KA

المصدر: Journal of medicinal chemistry [J Med Chem] 2019 Feb 14; Vol. 62 (3), pp. 1502-1522. Date of Electronic Publication: 2019 Jan 03.

نوع المنشور: Journal Article; Research Support, N.I.H., Extramural; Research Support, N.I.H., Intramural

بيانات الدورية: Publisher: American Chemical Society Country of Publication: United States NLM ID: 9716531 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-4804 (Electronic) Linking ISSN: 00222623 NLM ISO Abbreviation: J Med Chem Subsets: MEDLINE

مواضيع طبية MeSH: Adenosine/*analogs & derivatives , Adenosine/*pharmacology , Adenosine A1 Receptor Agonists/*pharmacology , Bridged Bicyclo Compounds/*pharmacology, Adenosine/chemical synthesis ; Adenosine A1 Receptor Agonists/chemical synthesis ; Adenosine A1 Receptor Agonists/pharmacokinetics ; Animals ; Bridged Bicyclo Compounds/chemical synthesis ; Bridged Bicyclo Compounds/pharmacokinetics ; CHO Cells ; Cricetulus ; Drug Design ; HEK293 Cells ; Humans ; Macaca fascicularis ; Male ; Mice, Inbred C57BL ; Molecular Docking Simulation ; Molecular Structure ; Receptor, Adenosine A1/metabolism ; Structure-Activity Relationship

المؤلفون: Yu J; Molecular Recognition Section , Laboratory of Bioorganic Chemistry , National Institute of Diabetes and Digestive and Kidney Diseases , National Institutes of Health , Bldg. 8A, Rm. B1A-19, NIH, NIDDK, LBC , Bethesda , Maryland 20892-0810 , USA . Email: kennethj@niddk.nih.gov ; ; Tel: +301 496 9024., Mannes P; Molecular Recognition Section , Laboratory of Bioorganic Chemistry , National Institute of Diabetes and Digestive and Kidney Diseases , National Institutes of Health , Bldg. 8A, Rm. B1A-19, NIH, NIDDK, LBC , Bethesda , Maryland 20892-0810 , USA . Email: kennethj@niddk.nih.gov ; ; Tel: +301 496 9024., Jung YH; Molecular Recognition Section , Laboratory of Bioorganic Chemistry , National Institute of Diabetes and Digestive and Kidney Diseases , National Institutes of Health , Bldg. 8A, Rm. B1A-19, NIH, NIDDK, LBC , Bethesda , Maryland 20892-0810 , USA . Email: kennethj@niddk.nih.gov ; ; Tel: +301 496 9024., Ciancetta A; School of Pharmacy , Queen's University Belfast , 96 Lisburn Rd , Belfast , BT9 7BL , UK., Bitant A; Department of Pharmacology , Medical College of Wisconsin , 8701 Watertown Plank Road , Milwaukee , Wisconsin 53226 , USA., Lieberman DI; Molecular Recognition Section , Laboratory of Bioorganic Chemistry , National Institute of Diabetes and Digestive and Kidney Diseases , National Institutes of Health , Bldg. 8A, Rm. B1A-19, NIH, NIDDK, LBC , Bethesda , Maryland 20892-0810 , USA . Email: kennethj@niddk.nih.gov ; ; Tel: +301 496 9024., Khaznadar S; Molecular Recognition Section , Laboratory of Bioorganic Chemistry , National Institute of Diabetes and Digestive and Kidney Diseases , National Institutes of Health , Bldg. 8A, Rm. B1A-19, NIH, NIDDK, LBC , Bethesda , Maryland 20892-0810 , USA . Email: kennethj@niddk.nih.gov ; ; Tel: +301 496 9024., Auchampach JA; Department of Pharmacology , Medical College of Wisconsin , 8701 Watertown Plank Road , Milwaukee , Wisconsin 53226 , USA., Gao ZG; Molecular Recognition Section , Laboratory of Bioorganic Chemistry , National Institute of Diabetes and Digestive and Kidney Diseases , National Institutes of Health , Bldg. 8A, Rm. B1A-19, NIH, NIDDK, LBC , Bethesda , Maryland 20892-0810 , USA . Email: kennethj@niddk.nih.gov ; ; Tel: +301 496 9024., Jacobson KA; Molecular Recognition Section , Laboratory of Bioorganic Chemistry , National Institute of Diabetes and Digestive and Kidney Diseases , National Institutes of Health , Bldg. 8A, Rm. B1A-19, NIH, NIDDK, LBC , Bethesda , Maryland 20892-0810 , USA . Email: kennethj@niddk.nih.gov ; ; Tel: +301 496 9024.

المصدر: MedChemComm [Medchemcomm] 2018 Oct 18; Vol. 9 (11), pp. 1920-1932. Date of Electronic Publication: 2018 Oct 18 (Print Publication: 2018).

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 101531525 Publication Model: eCollection Cited Medium: Internet ISSN: 2040-2511 (Electronic) Linking ISSN: 20402503 NLM ISO Abbreviation: Medchemcomm Subsets: PubMed not MEDLINE