Publications

A selection of recent and significant publications can be viewed below.

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Alicyclic Ring Size Variation of 4-Phenyl-2-naphthoic Acid Derivatives as P2Y(14) Receptor Antagonists.

Wen Z, Pramanik A, Lewicki SA, Jung YH, Gao ZG, Randle JCR, Cronin C, Chen Z, Giancotti LA, Whitehead GS, Liang BT, Breton S, Salvemini D, Cook DN, Jacobson KA.

J Med Chem (2023 Jul 13) 66:9076-9094. Abstract/Full Text

A(3) adenosine receptor agonists containing dopamine moieties for enhanced interspecies affinity.

Tosh DK, Salmaso V, Campbell RG, Rao H, Bitant A, Pottie E, Stove CP, Liu N, Gavrilova O, Gao ZG, Auchampach JA, Jacobson KA.

Eur J Med Chem (2022 Jan 15) 228:113983. Abstract/Full Text

Structure-Activity Relationship of 3-Methylcytidine-5'-α,β-methylenediphosphates as CD73 Inhibitors.

Scortichini M, Idris RM, Moschütz S, Keim A, Salmaso V, Dobelmann C, Oliva P, Losenkova K, Irjala H, Vaittinen S, Sandholm J, Yegutkin GG, Sträter N, Junker A, Müller CE, Jacobson KA.

J Med Chem (2022 Feb 10) 65:2409-2433. Abstract/Full Text

Adipocyte P2Y14 receptors play a key role in regulating whole-body glucose and lipid homeostasis.

Jain S, Pydi SP, Jung YH, Scortichini M, Kesner EL, Karcz TP, Cook DN, Gavrilova O, Wess J, Jacobson KA.

JCI Insight (2021 May 24) 6. Abstract/Full Text

Extrahelical Binding Site for a 1H-Imidazo[4,5-c]quinolin-4-amine A(3) Adenosine Receptor Positive Allosteric Modulator on Helix 8 and Distal Portions of Transmembrane Domains 1 and 7.

Fisher CL, Pavan M, Salmaso V, Keyes RF, Wan TC, Pradhan B, Gao ZG, Smith BC, Jacobson KA, Auchampach JA.

Mol Pharmacol (2024 Feb 15) 105:213-223. Abstract/Full Text

Additional Publications

Species dependence of A(3) adenosine receptor pharmacology and function.

Gao ZG, Auchampach JA, Jacobson KA.

Purinergic Signal (2023 Sep) 19:523-550. Abstract/Full Text

A(2B) adenosine receptor activation and modulation by protein kinase C.

Gao ZG, Levitan IM, Inoue A, Wei Q, Jacobson KA.

iScience (2023 Jul 21) 26:107178. Abstract/Full Text

Adenosine A(2A) receptor antagonists: from caffeine to selective non-xanthines.

Jacobson KA, Gao ZG, Matricon P, Eddy MT, Carlsson J.

Br J Pharmacol (2022 Jul) 179:3496-3511. Abstract/Full Text

Pharmacological characterization of DPTN and other selective A(3) adenosine receptor antagonists.

Gao ZG, Suresh RR, Jacobson KA.

Purinergic Signal (2021 Dec) 17:737-746. Abstract/Full Text

Allosteric Antagonism of the A(2A) Adenosine Receptor by a Series of Bitopic Ligands.

Gao ZG, Toti KS, Campbell R, Suresh RR, Yang H, Jacobson KA.

Cells (2020 May 12) 9. Abstract/Full Text

A(2B) Adenosine Receptor and Cancer.

Gao ZG, Jacobson KA.

Int J Mol Sci (2019 Oct 17) 20. Abstract/Full Text

Historical and Current Adenosine Receptor Agonists in Preclinical and Clinical Development.

Jacobson KA, Tosh DK, Jain S, Gao ZG.

Front Cell Neurosci (2019) 13:124. Abstract/Full Text

Activation of adenosine A(2A) or A(2B) receptors causes hypothermia in mice.

Carlin JL, Jain S, Duroux R, Suresh RR, Xiao C, Auchampach JA, Jacobson KA, Gavrilova O, Reitman ML.

Neuropharmacology (2018 Sep 1) 139:268-278. Abstract/Full Text

Author Correction: Salvianolic acids from antithrombotic Traditional Chinese Medicine Danshen are antagonists of human P2Y(1) and P2Y(12) receptors.

Liu X, Gao ZG, Wu Y, Stevens RC, Jacobson KA, Zhao S.

Sci Rep (2018 Jul 24) 8:11380. Abstract/Full Text

Activation of basal forebrain purinergic P2 receptors promotes wakefulness in mice.

Yang C, Larin A, McKenna JT, Jacobson KA, Winston S, Strecker RE, Kalinchuk A, Basheer R, Brown RE.

Sci Rep (2018 Jul 16) 8:10730. Abstract/Full Text

Extrinsic Tryptophans as NMR Probes of Allosteric Coupling in Membrane Proteins: Application to the A(2A) Adenosine Receptor.

Eddy MT, Gao ZG, Mannes P, Patel N, Jacobson KA, Katritch V, Stevens RC, Wüthrich K.

J Am Chem Soc (2018 Jul 5) 140:8228-8235. Abstract/Full Text

Thermostabilization and purification of the human dopamine transporter (hDAT) in an inhibitor and allosteric ligand bound conformation.

Navratna V, Tosh DK, Jacobson KA, Gouaux E.

PLoS One (2018) 13:e0200085. Abstract/Full Text

A(3) Adenosine Receptors as Modulators of Inflammation: From Medicinal Chemistry to Therapy.

Jacobson KA, Merighi S, Varani K, Borea PA, Baraldi S, Aghazadeh Tabrizi M, Romagnoli R, Baraldi PG, Ciancetta A, Tosh DK, Gao ZG, Gessi S.

Med Res Rev (2018 Jul) 38:1031-1072. Abstract/Full Text

A binding kinetics study of human adenosine A(3) receptor agonists.

Xia L, Kyrizaki A, Tosh DK, van Duijl TT, Roorda JC, Jacobson KA, IJzerman AP, Heitman LH.

Biochem Pharmacol (2018 Jul) 153:248-259. Abstract/Full Text

Structure-Guided Modification of Heterocyclic Antagonists of the P2Y(14) Receptor.

Yu J, Ciancetta A, Dudas S, Duca S, Lottermoser J, Jacobson KA.

J Med Chem (2018 Jun 14) 61:4860-4882. Abstract/Full Text

Chemotherapy-induced pain is promoted by enhanced spinal adenosine kinase levels through astrocyte-dependent mechanisms.

Wahlman C, Doyle TM, Little JW, Luongo L, Janes K, Chen Z, Esposito E, Tosh DK, Cuzzocrea S, Jacobson KA, Salvemini D.

Pain (2018 Jun) 159:1025-1034. Abstract/Full Text

Salvianolic acids from antithrombotic Traditional Chinese Medicine Danshen are antagonists of human P2Y(1) and P2Y(12) receptors.

Liu X, Gao ZG, Wu Y, Stevens RC, Jacobson KA, Zhao S.

Sci Rep (2018 May 24) 8:8084. Abstract/Full Text

On the G protein-coupling selectivity of the native A(2B) adenosine receptor.

Gao ZG, Inoue A, Jacobson KA.

Biochem Pharmacol (2018 May) 151:201-213. Abstract/Full Text

Species differences and mechanism of action of A(3) adenosine receptor allosteric modulators.

Du L, Gao ZG, Paoletta S, Wan TC, Gizewski ET, Barbour S, van Veldhoven JPD, IJzerman AP, Jacobson KA, Auchampach JA.

Purinergic Signal (2018 Mar) 14:59-71. Abstract/Full Text

Structural Connection between Activation Microswitch and Allosteric Sodium Site in GPCR Signaling.

White KL, Eddy MT, Gao ZG, Han GW, Lian T, Deary A, Patel N, Jacobson KA, Katritch V, Stevens RC.

Structure (2018 Feb 6) 26:259-269.e5. Abstract/Full Text

Allosteric Coupling of Drug Binding and Intracellular Signaling in the A(2A) Adenosine Receptor.

Eddy MT, Lee MY, Gao ZG, White KL, Didenko T, Horst R, Audet M, Stanczak P, McClary KM, Han GW, Jacobson KA, Stevens RC, Wüthrich K.

Cell (2018 Jan 11) 172:68-80.e12. Abstract/Full Text

Breakthrough in GPCR Crystallography and Its Impact on Computer-Aided Drug Design.

Ciancetta A, Jacobson KA.

Methods Mol Biol (2018) 1705:45-72. Abstract/Full Text

Demystifying P2Y(1) Receptor Ligand Recognition through Docking and Molecular Dynamics Analyses.

Ciancetta A, O'Connor RD, Paoletta S, Jacobson KA.

J Chem Inf Model (2017 Dec 26) 57:3104-3123. Abstract/Full Text

Purinergic Signaling in Mast Cell Degranulation and Asthma.

Gao ZG, Jacobson KA.

Front Pharmacol (2017) 8:947. Abstract/Full Text

Polypharmacology of conformationally locked methanocarba nucleosides.

Jacobson KA, Tosh DK, Toti KS, Ciancetta A.

Drug Discov Today (2017 Dec) 22:1782-1791. Abstract/Full Text

Purinergic drug targets for gastrointestinal disorders.

Burnstock G, Jacobson KA, Christofi FL.

Curr Opin Pharmacol (2017 Dec) 37:131-141. Abstract/Full Text

Distinct Signaling Patterns of Allosteric Antagonism at the P2Y(1) Receptor.

Gao ZG, Jacobson KA.

Mol Pharmacol (2017 Nov) 92:613-626. Abstract/Full Text

Pyrimidine Nucleotides Containing a (S)-Methanocarba Ring as P2Y(6) Receptor Agonists.

Toti KS, Jain S, Ciancetta A, Balasubramanian R, Chakraborty S, Surujdin R, Shi ZD, Jacobson KA.

Medchemcomm (2017 Oct 1) 8:1897-1908. Abstract/Full Text

Polypharmacology of N(6)-(3-Iodobenzyl)adenosine-5'-N-methyluronamide (IB-MECA) and Related A(3) Adenosine Receptor Ligands: Peroxisome Proliferator Activated Receptor (PPAR) γ Partial Agonist and PPARδ Antagonist Activity Suggests Their Antidiabetic Potential.

Yu J, Ahn S, Kim HJ, Lee M, Ahn S, Kim J, Jin SH, Lee E, Kim G, Cheong JH, Jacobson KA, Jeong LS, Noh M.

J Med Chem (2017 Sep 14) 60:7459-7475. Abstract/Full Text

Highly selective A3 adenosine receptor agonists relieve chronic neuropathic pain.

Salvemini D, Jacobson KA.

Expert Opin Ther Pat (2017 Aug) 27:967. Abstract/Full Text

Bitopic fluorescent antagonists of the A(2A) adenosine receptor based on pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine functionalized congeners.

Duroux R, Ciancetta A, Mannes P, Yu J, Boyapati S, Gizewski E, Yous S, Ciruela F, Auchampach JA, Gao ZG, Jacobson KA.

Medchemcomm (2017 Aug 1) 8:1659-1667. Abstract/Full Text

Fragment optimization for GPCRs by molecular dynamics free energy calculations: Probing druggable subpockets of the A (2A) adenosine receptor binding site.

Matricon P, Ranganathan A, Warnick E, Gao ZG, Rudling A, Lambertucci C, Marucci G, Ezzati A, Jaiteh M, Dal Ben D, Jacobson KA, Carlsson J.

Sci Rep (2017 Jul 25) 7:6398. Abstract/Full Text

Exploring the Role of N(6)-Substituents in Potent Dual Acting 5'-C-Ethyltetrazolyladenosine Derivatives: Synthesis, Binding, Functional Assays, and Antinociceptive Effects in Mice ∇.

Petrelli R, Scortichini M, Kachler S, Boccella S, Cerchia C, Torquati I, Del Bello F, Salvemini D, Novellino E, Luongo L, Maione S, Jacobson KA, Lavecchia A, Klotz KN, Cappellacci L.

J Med Chem (2017 May 25) 60:4327-4341. Abstract/Full Text

N(6)-Substituted 5'-N-Methylcarbamoyl-4'-selenoadenosines as Potent and Selective A(3) Adenosine Receptor Agonists with Unusual Sugar Puckering and Nucleobase Orientation.

Yu J, Zhao LX, Park J, Lee HW, Sahu PK, Cui M, Moss SM, Hammes E, Warnick E, Gao ZG, Noh M, Choi S, Ahn HC, Choi J, Jacobson KA, Jeong LS.

J Med Chem (2017 Apr 27) 60:3422-3437. Abstract/Full Text

Scaffold Repurposing of Nucleosides (Adenosine Receptor Agonists): Enhanced Activity at the Human Dopamine and Norepinephrine Sodium Symporters.

Tosh DK, Janowsky A, Eshleman AJ, Warnick E, Gao ZG, Chen Z, Gizewski E, Auchampach JA, Salvemini D, Jacobson KA.

J Med Chem (2017 Apr 13) 60:3109-3123. Abstract/Full Text

Structural Probing and Molecular Modeling of the A₃ Adenosine Receptor: A Focus on Agonist Binding.

Ciancetta A, Jacobson KA.

Molecules (2017 Mar 11) 22. Abstract/Full Text

Hypothermia in mouse is caused by adenosine A(1) and A(3) receptor agonists and AMP via three distinct mechanisms.

Carlin JL, Jain S, Gizewski E, Wan TC, Tosh DK, Xiao C, Auchampach JA, Jacobson KA, Gavrilova O, Reitman ML.

Neuropharmacology (2017 Mar 1) 114:101-113. Abstract/Full Text

Structure-Based Scaffold Repurposing for G Protein-Coupled Receptors: Transformation of Adenosine Derivatives into 5HT(2B)/5HT(2C) Serotonin Receptor Antagonists.

Tosh DK, Ciancetta A, Warnick E, Crane S, Gao ZG, Jacobson KA.

J Med Chem (2016 Dec 22) 59:11006-11026. Abstract/Full Text

UDP-glucose promotes neutrophil recruitment in the lung.

Sesma JI, Weitzer CD, Livraghi-Butrico A, Dang H, Donaldson S, Alexis NE, Jacobson KA, Harden TK, Lazarowski ER.

Purinergic Signal (2016 Dec) 12:627-635. Abstract/Full Text

Inherited dysfunctional platelet P2Y(12) receptor mutations associated with bleeding disorders.

Lecchi A, Femia EA, Paoletta S, Dupuis A, Ohlmann P, Gachet C, Jacobson KA, Machura K, Podda GM, Zieger B, Cattaneo M.

Hamostaseologie (2016 Nov 7) 36:279-283. Abstract/Full Text

Structure-Based Screening of Uncharted Chemical Space for Atypical Adenosine Receptor Agonists.

Rodríguez D, Chakraborty S, Warnick E, Crane S, Gao ZG, O'Connor R, Jacobson KA, Carlsson J.

ACS Chem Biol (2016 Oct 21) 11:2763-2772. Abstract/Full Text

Ocular Purine Receptors as Drug Targets in the Eye.

Jacobson KA, Civan MM.

J Ocul Pharmacol Ther (2016 Oct) 32:534-547. Abstract/Full Text

South (S)- and North (N)-Methanocarba-7-Deazaadenosine Analogues as Inhibitors of Human Adenosine Kinase.

Toti KS, Osborne D, Ciancetta A, Boison D, Jacobson KA.

J Med Chem (2016 Jul 28) 59:6860-77. Abstract/Full Text

Structure-Activity Analysis of Biased Agonism at the Human Adenosine A3 Receptor.

Baltos JA, Paoletta S, Nguyen AT, Gregory KJ, Tosh DK, Christopoulos A, Jacobson KA, May LT.

Mol Pharmacol (2016 Jul) 90:12-22. Abstract/Full Text

Medicinal chemistry of adenosine, P2Y and P2X receptors.

Jacobson KA, Müller CE.

Neuropharmacology (2016 May) 104:31-49. Abstract/Full Text