Wei Q, Costanzi S, Liu QZ, Gao ZG, Jacobson KA. Activation of the P2Y(1) receptor induces apoptosis and inhibits proliferation of prostate cancer cells. Biochem Pharmacol. 2011 Aug 15;82(4):418-25. [Full Text/Abstract ]
McMillin SM, Heusel M, Liu T, Costanzi S, Wess J. Structural basis of m3 muscarinic receptor dimer/oligomer formation. J Biol Chem. 2011 Aug 12;286(32):28584-98. [Full Text/Abstract ]
Costanzi S, Vilar S, Micozzi D, Carpi FM, Ferino G, Vita A, Vincenzetti S. Delineation of the Molecular Mechanisms of Nucleoside Recognition by Cytidine Deaminase through Virtual Screening. ChemMedChem. 2011 Aug 1;6(8):1452-8. doi: 10.1002/cmdc.201100139 [Full Text/Abstract ]
Maruoka H, Jayasekara MP, Barrett MO, Franklin DA, de Castro S, Kim N, Costanzi S, Harden TK, Jacobson KA. Pyrimidine nucleotides with 4-alkyloxyimino and terminal tetraphosphate δ-ester modifications as selective agonists of the P2Y(4) receptor. J Med Chem. 2011 Jun 23;54(12):4018-33. [Full Text/Abstract ]
Vilar S, Karpiak J, Berk B, Costanzi S. In silico analysis of the binding of agonists and blockers to the β2-adrenergic receptor. J Mol Graph Model. 2011 Apr;29(6):809-17. [Full Text/Abstract ]
Jacobson KA, Deflorian F, Mishra S, Costanzi S. Pharmacochemistry of the platelet purinergic receptors. Purinergic Signal. 2011 Feb 18. [Full Text/Abstract ]
Vilar S, Ferino G, Phatak SS, Berk B, Cavasotto CN, Costanzi S Docking-based virtual screening for ligands of G protein-coupled receptors: not only crystal structures but also in silico models. J Mol Graph Model (29), 614-623, 2010. [Full Text/Abstract ]
S Costanzi Modeling G protein-coupled receptors: a concrete possibility. Chemistry Today (28), 26-31, 2010. [Full Text/Abstract ]
Vilar S, Chakrabarti M, Costanzi S Prediction of passive blood-brain partitioning: straightforward and effective classification models based on in silico derived physicochemical descriptors. J Mol Graph Model(28), 899-903, 2010. [ Full Text/Abstract ]
Hu J, Wang Y, Zhang X, Lloyd JR, Li JH, Karpiak J, Costanzi S, Wess J Structural basis of G protein-coupled receptor-G protein interactions. Nat Chem Biol (6), 541-548, 2010. [ Full Text/Abstract ]
Vilar S, Karpiak J, Costanzi S Ligand and structure-based models for the prediction of ligand-receptor affinities and virtual screenings: Development and application to the beta(2)-adrenergic receptor. J Comput Chem (31), 707-20, 2010. [ Full Text/Abstract ]
Micozzi D, Pucciarelli S, Carpi FM, Costanzi S, De Sanctis G, Polzonetti V, Natalini P, Santarelli IF, Vita A, Vincenzetti S Role of tyrosine 33 residue for the stabilization of the tetrameric structure of human cytidine deaminase. Int J Biol Macromol (21), 1190-1205, 2010. [ Full Text/Abstract ]
de Castro S, Maruoka H, Hong K, Kilbey SM, Costanzi S, Hechler B, Brown Jr GG, Gachet C, Harden TK, Jacobson KA Functionalized Congeners of P2Y1 Bioconjug Chem (21), 1190-1205, 2010. [ Full Text/Abstract ]
Maruoka H, Barrett MO, Ko H, Tosh DK, Melman A, Burianek LE, Balasubramanian R, Berk B, Costanzi S, Harden TK, Jacobson KA Pyrimidine ribonucleotides with enhanced selectivity as P2Y6 receptor agonists: novel 4-alkyloxyimino, (S)-methanocarba, and 5'-triphosphate gamma-ester modifications. J Med Chem(53), 4488-4501, 2010. [ Full Text/Abstract ]
Michino M, Abola E GPCR Dock 2008 participants, Brooks CL 3rd, Dixon JS, Moult J, Stevens RC Community-wide assessment of GPCR structure modelling and ligand docking: GPCR Dock 2008. Nat Rev Drug Discov (8), 455-63, 2009. [ Full Text/Abstract ]
Costanzi S, Siegel J, Tikhonova IG, Jacobson KA Rhodopsin and the others: a historical perspective on structural studies of G protein-coupled receptors. Curr Pharm Des (15), 3994-4002, 2009. [ Full Text/Abstract ]
Tikhonova IG, Costanzi S Unraveling the structure and function of G protein-coupled receptors through NMR spectroscopy. Curr Pharm Des (15), 4003-16, 2009. [ Full Text/Abstract ]
Pooput C, Rosemond E, Karpiak J, Deflorian F, Vilar S, Costanzi S, Wess J, Kirk KL Structural basis of the selectivity of the beta(2)-adrenergic receptor for fluorinated catecholamines. Bioorg Med Chem (17), 7987-92, 2009. [ Full Text/Abstract ]
Sum CS, Tikhonova IG, Costanzi S, Gershengorn MC Two arginine-glutamate ionic locks near the extracellular surface of FFAR1 gate receptor activation. J Biol Chem(284), 3529-36, 2009. [ Full Text/Abstract ]
Fatakia SN, Costanzi S, Chow CC Computing highly correlated positions using mutual information and graph theory for G protein-coupled receptors. PLoS One (4), e4681, 2009. [ Full Text/Abstract ]
Costanzi S On the Applicability of GPCR Homology Models to Computer-Aided Drug Discovery: A Comparison between In Silico and Crystal Structures of the beta2-Adrenergic Receptor. J Med Chem(51): 2907-14, 2008. [Full Text/Abstract]
Tikhonova IG, Best RB, Engel S, Gershengorn MC, Hummer G, Costanzi S Atomistic insights into rhodopsin activation from a dynamic model. J Am Chem Soc(130): 10141-9, 2008. [Full Text/Abstract]
Neumann S, Kleinau G, Costanzi S, Moore S, Jiang JK, Raaka BM, Thomas CJ, Krause G, Gershengorn MC A low-molecular-weight antagonist for the human thyrotropin receptor with therapeutic potential for hyperthyroidism. Endocrinology(149):5945-50, 2008. [Full Text/Abstract]
Jiang JK, Ghoreschi K, Deflorian F, Chen Z, Perreira M, Pesu M, Smith J, Nguyen DT, Liu EH, Leister W, Costanzi S, O'Shea JJ, Thomas CJ Examining the chirality, conformation and selective kinase inhibition of 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile (CP-690,550). J Med Chem(51):8012-8, 2008. [Full Text/Abstract]
Houston D, Costanzi S, Jacobson KA, Harden TK Development of selective high affinity antagonists, agonists, and radioligands for the P2Y1 receptor. Comb Chem High Throughput Screen(11): 410-9, 2008. [Full Text/Abstract]
Tikhonova IG, Sum CS, Neumann S, Engel S, Raaka BM, Costanzi S, Gershengorn MC Discovery of novel agonists and antagonists of the free fatty acid receptor 1 (FFAR1) using virtual screening. J Med Chem(51): 625-33, 2008. [Full Text/Abstract]
Costanzi S, Tikhonova IG, Harden TK, Jacobson KA Ligand and structure-based methodologies for the prediction of the activity of G protein-coupled receptor ligands. J Comput Aided Mol Des, 23, 747-54, 2009. [Full Text/Abstract]
Costanzi S, Neumann S, Gershengorn MC Seven transmembrane-spanning receptors for free fatty acids as therapeutic targets for diabetes mellitus: pharmacological, phylogenetic, and drug discovery aspects. J Biol Chem(283): 16269-73, 2008. [Full Text/Abstract]
Costanzi S, Tikhonova IG, Ohno M, Roh EJ, Joshi BV, Colson AO, Houston D, Maddileti S, Harden TK, Jacobson KA P2Y1 antagonists: combining receptor-based modeling and QSAR for a quantitative prediction of the biological activity based on consensus scoring. J Med Chem(50): 3229-41, 2007. [Full Text/Abstract]
Costanzi S, Ivanov AA, Tikhonova IG, Jacobson KA Structure and Function of G Protein-Coupled Receptors Studied Using Sequence Analysis, Molecular Modeling and Receptor Engineering: Adenosine Receptors. In: Frontiers in Drug Design and Discovery. Caldwell, Rahman, Player, Choudhary, editors. Bentham, 2007. pp.63-79
Deflorian F, Engel S, Colson AO, Raaka BM, Gershengorn MC, Costanzi S Understanding the structural and functional differences between mouse thyrotropin-releasing hormone receptors 1 and 2. Proteins, 2007. [Full Text/Abstract]
Tikhonova IG, Sum CS, Neumann S, Thomas CJ, Raaka BM, Costanzi S, Gershengorn MC Bidirectional, Iterative Approach to the Structural Delineation of the Functional "Chemoprint" in GPR40 for Agonist Recognition. J Med Chem(50): 2981-9, 2007. [Full Text/Abstract]
Sum CS, Tikhonova IG, Neumann S, Engel S, Raaka BM, Costanzi S, Gershengorn MC Identification of residues important for agonist recognition and activation in GPR40. J Biol Chem(282): 29248-55, 2007. [Full Text/Abstract]
Ivanov AA, Ko H, Cosyn L, Maddileti S, Besada P, Fricks I, Costanzi S, Harden TK, Calenbergh SV, Jacobson KA Molecular modeling of the human P2Y2 receptor and design of a selective agonist, 2''-amino-2''-deoxy-2-thiouridine 5''-triphosphate. J Med Chem(50): 1166-76, 2007. [Full Text/Abstract]
Costanzi S, Vincenzetti S, Cristalli G, Vita A Human cytidine deaminase: A three-dimensional homology model of a tetrameric metallo-enzyme inferred from the crystal structure of a distantly related dimeric homologue. J Mol Graph Model (25): 10-6, 2006. [Full Text/Abstract]
Jaschke H, Neumann S, Moore S, Thomas CJ, Colson AO, Costanzi S, Kleinau G, Jiang JK, Paschke R, Raaka BM, Krause G, Gershengorn MC A low molecular weight agonist signals by binding to the transmembrane domain of thyroid-stimulating hormone receptor (TSHR) and luteinizing hormone/chorionic gonadotropin receptor (LHCGR). J Biol Chem (281): 9841-4, 2006. [Full Text/Abstract]
Hu J, Jiang J, Costanzi S, Thomas C, Yang W, Feyen JH, Jacobson KA, Spiegel AM A missense mutation in the seven-transmembrane domain of the human Ca2 receptor converts a negative allosteric modulator into a positive allosteric modulator. J Biol Chem (281): 21558-65, 2006. [Full Text/Abstract]
Jacobson KA, Costanzi S, Kim SK, Roh E, Joshi BV, Tchilibon S, Duong HT, Gao ZG Action of nucleosides and nucleotides at 7 transmembrane-spanning receptors. Nucleosides Nucleotides Nucleic Acids (25): 1425-36, 2006. [Full Text/Abstract]
Jacobson KA, Costanzi S, Joshi BV, Besada P, Shin DH, Ko H, Ivanov AA, Mamedova L Agonists and antagonists for P2 receptors. Novartis Found Symp (276): 58-68; discussion 68-72, 107-12, 275-81, 2006. [Full Text/Abstract]
Ivanov AA, Costanzi S, Jacobson KA Defining the nucleotide binding sites of P2Y receptors using rhodopsin-based homology modeling. J Comput Aided Mol Des (20): 417-26, 2006. [Full Text/Abstract]
Moore S, Jaeschke H, Kleinau G, Neumann S, Costanzi S, Jiang JK, Childress J, Raaka BM, Colson A, Paschke R, Krause G, Thomas CJ, Gershengorn MC Evaluation of small-molecule modulators of the luteinizing hormone/choriogonadotropin and thyroid stimulating hormone receptors: structure-activity relationships and selective binding patterns. J Med Chem (49): 3888-96, 2006. [Full Text/Abstract]
Jacobson KA, Costanzi S, Ivanov AA, Tchilibon S, Besada P, Gao ZG, Maddileti S, Harden TK Structure activity and molecular modeling analyses of ribose- and base-modified uridine 5''-triphosphate analogues at the human P2Y2 and P2Y4 receptors. Biochem Pharmacol (71): 540-9, 2006. [Full Text/Abstract]
Besada P, Shin DH, Costanzi S, Ko H, Mathe C, Gagneron J, Gosselin G, Maddileti S, Harden TK, Jacobson KA Structure-activity relationships of uridine 5''-diphosphate analogues at the human P2Y6 receptor. J Med Chem (49): 5532-43, 2006. [Full Text/Abstract]
Costanzi S, Joshi BV, Maddileti S, Mamedova L, Gonzalez-Moa MJ, Marquez VE, Harden TK, Jacobson KA Human P2Y(6) receptor: molecular modeling leads to the rational design of a novel agonist based on a unique conformational preference. J Med Chem (48): 8108-11, 2005. [Full Text/Abstract]
Besada P, Mamedova L, Thomas CJ, Costanzi S, Jacobson KA Design and synthesis of new bicyclic diketopiperazines as scaffolds for receptor probes of structurally diverse functionality. Org Biomol Chem (3): 2016-25, 2005. [Full Text/Abstract]
Cristalli G, Podda GM, Costanzi S, Lambertucci C, Lecchi A, Vittori S, Volpini R, Zighetti ML, Cattaneo M Effects of 5''-phosphate derivatives of 2-hexynyl adenosine and 2-phenylethynyl adenosine on responses of human platelets mediated by P2Y receptors. J Med Chem (48): 2763-6, 2005. [Full Text/Abstract]
Jacobson KA, Mamedova L, Joshi BV, Besada P, Costanzi S Molecular recognition at adenine nucleotide (P2) receptors in platelets. Semin Thromb Hemost (31): 205-16, 2005. [Full Text/Abstract]
Costanzi S, Lambertucci C, Portino FR, Volpini R, Vittori S, Cristalli G Ring opening reactions: synthesis of AICAR analogs as potential antimetabolite agents. Nucleosides Nucleotides Nucleic Acids (24): 415-8, 2005. [Full Text/Abstract]
Costanzi S, Mamedova L, Gao ZG, Jacobson KA Architecture of P2Y nucleotide receptors: structural comparison based on sequence analysis, mutagenesis, and homology modeling. J Med Chem (47): 5393-404, 2004. [Full Text/Abstract]
Ohno M, Costanzi S, Kim HS, Kempeneers V, Vastmans K, Herdewijn P, Maddileti S, Gao ZG, Harden TK, Jacobson KA Nucleotide analogues containing 2-oxa-bicyclo[2.2.1]heptane and l-alpha-threofuranosyl ring systems: interactions with P2Y receptors. Bioorg Med Chem (12): 5619-30, 2004. [Full Text/Abstract]
Jacobson KA, Kim SK, Costanzi S, Gao ZG Purine receptors: gpcr structure and agonist design. Mol Interv (4): 337-47, 2004. [Full Text/Abstract]
Costanzi S, Lambertucci C, Vittori S, Volpini R, Cristalli G 2- and 8-alkynyladenosines: conformational studies and docking to human adenosine A3 receptor can explain their different biological behavior. J Mol Graph Model (21): 253-62, 2003. [Full Text/Abstract]
Costanzi S, Vincenzetti S, Vita A, Lambertucci C, Taffi S, Volpini R, Vittori S, Cristalli G Human cytidine deaminase: understanding the catalytic mechanism. Nucleosides Nucleotides Nucleic Acids (22): 1539-43, 2003. [Full Text/Abstract]
Vincenzetti S, De Sanctis G, Costanzi S, Cristalli G, Mariani P, Mei G, Neuhard J, Natalini P, Polzonetti V, Vita A Functional properties of subunit interactions in human cytidine deaminase. Protein Eng (16): 1055-61, 2003. [Full Text/Abstract]
