Horenstein NA, Papke RL, Kulkarni AR, Chaturbhuj GU, Stokes C, Manther K, Thakur GA., (2016) Critical Molecular Determinants of α7 Nicotinic Acetylcholine Receptor Allosteric Activation: SEPARATION OF DIRECT ALLOSTERIC ACTIVATION AND POSITIVE ALLOSTERIC MODULATION. J Biol Chem. 291, 5049-5067.DOI:10.1074/jbc.M115.692392

Thiaville JJ, Frelin O, García-Salinas C, Harrison K, Hasnain G, Horenstein NA, Díaz de la Garza RI, Henry CS, Hanson AD, de Crécy-Lagard V., Experimental and Metabolic Modeling Evidence for a Folate-Cleaving Side-Activity of Ketopantoate Hydroxymethyltransferase (PanB). Front Microbiol. 2016 Mar 31;7:431. doi: 10.3389/fmicb.2016.00431

Quadri, Marta; Papke, Roger L.; Horenstein, Nicole A.(2016) “Dissection of N,N-diethyl-N ‘-phenylpiperazines as alpha 7 nicotinic receptor silent agonists ” Bioorg. Med. Chem. Lett. 24, 286-293 doi:

Papke RL, Horenstein NA, Stokes C., Nicotinic Activity of Arecoline, the Psychoactive Element of “Betel Nuts”, Suggests a Basis for Habitual Use and Anti-Inflammatory Activity. PLoS One. 2015 Oct 21;10(10). doi:
Ehsan, M. U.; Bozai, Y.; Pearson, W. L., III; Horenstein, N.A.; Eyler, J.A. (2015) “Infrared multiple photon dissociation spectrum of protonated bis(2-methoxyethyl) ether obtained with a tunable CO2 laser” Phys. Chem. Chem. Phys. 17, 25877-25881. doi:

Akin, D., S.K. Wang, P. Habibzadegah-Tari, B. Law, D. Ostrov, M. Li, X.-M. Yin, J.-S. Kim, N. Horenstein, and W.A. Dunn, Jr. (2014) “A novel ATG4B antagonist inhibits autophagy and has a negative impact on osteosarcoma tumors.” Autophagy.  10, 2021-2035. doi:

Papke, R.L., Chojnacka, K., Horenstein, N.A. (2014)  “The minimal pharmacophore for silent agonism of the α7 nicotinic acetylcholine receptor.” J Pharmacol Exp Ther. , 350, 665-680. doi:

Papke, R.L.; Horenstein, N.A.; Kulkarni, A.R.; Stokes, C.; Corrie, L.W.; Maeng, C.-Y.; and Thakur, G.A. (2014)  “The Activity of GAT107, an Allosteric Activator and Positive Modulator of 7 Nicotinic Acetylcholine Receptors (nAChR), Is Regulated by Aromatic Amino Acids That Span the Subunit Interface” J. Biol. Chem, 289, 4515-4531. doi: 

Wu, Y.; Arciola, J.; Horenstein, N.A. (2014)  “Medium-Chain Dehydrogenases with New Specificity. Amino Mannitol Dehydrogenases on the Azasugar Biosynthetic Pathway.” Prot. Pept. Lett. 21, 10-14.

Kinga Chojnacka, Roger Papke, and Nicole Horenstein (2013)  “Synthesis and evaluation of a conditionally-silent agonist for the a7 nicotinic receptor”. Bioorg. Med. Chem. Lett. 23, 4145-4149. doi:

Isaacson, Matthew D.; Horenstein, Nicole A.; Stokes, Clare; Kem, William R.; Papke, Roger L (2013)  “Point-to-point ligand-receptor interactions across the subunit interface modulate the induction and stabilization of conformational states of alpha7 nAChR by benzylidene anabaseines”. Biochemical Pharmacology (2013), 85, 817-828.

Wang, Jingyi; Papke, Roger L.; Stokes, Clare; Horenstein, Nicole A.(2012)  “Potential State-selective Hydrogen Bond Formation Can Modulate Activation and Desensitization of the a7 Nicotinic Acetylcholine Receptor”  J. Biol. Chem. 287, 21957-21969.

Clark, L.F.; Johnson, J.V.; Horenstein, N.A. (2011)  “Identification of a gene cluster that initiates azasugar biosynthesis in Bacillus amyloliquefaciens.” ChemBiochem. 12, 2147-2150.

Pierdominici-Sottile, G., Horenstein, N.A., Roitberg, A. (2011)  “Free energy study of the catalytic mechanism of Trypanosoma cruzi trans-sialidase. From the Michaelis complex to the covalent intermediate.” Biochemistry, 46, 10150-10158.

Williams, D.K.; Stokes, C.; Horenstein, N.A., Papke, R.L. (2011) “The effective opening of nicotinic acetylcholine receptors with single agonist binding sites” J. Gen. Physiol., 137, 369-384.

Papke, R.L.; Stokes, C.; Williams, D.K Wang, J.Y.; Horenstein, N.A. (2011)  “Cysteine accessibility analysis of the human alpha7 nicotinic acetylcholine receptor ligand-binding domain identifies L119 as a gatekeeper” Neuropharm. 60, 159-171.

Wang, J.; Horenstein, N.A.; Stokes, C.; Papke, R.L. (2010)  “Tethered Agonist Analogs as Site-Specific Probes for Domains of the Human alpha 7 Nicotinic Acetylcholine Receptor that Differentially Regulate Activation and Desensitization” Mol. Pharm. 78, 1012-1025.

Leonik, F.M.; Ghiviriga, I.; and Horenstein, N.A. (2010) ”Synthesis of 3,5-diazabicyclo [5.1.0] octenes. A new platform to mimic glycosidase transition states.” Tetrahedron, 66 (30) 5566-5572.

Delacruz, J.L.; Mikulski, R.; Tu, C.; Li, Y.; Wang, H.; Shiverick, K.T.; Frost, S.C.; Horenstein, N.A.; and Silverman, D.N. (2010)  “Detecting Extracellular Carbonic Anhydrase Activity Using Membrane Inlet Mass Spectrometry” Analytical Biochemistry, 403, 74-78.

Wang, J.Y., Papke, R.L., Horenstein, N.A. (2009)  “Synthesis of H-bonding probes of alpha 7 nAChR agonist selectivity” Bioorg. Med. Chem. Lett. 19, 474-476.

Corsino, P.; Horenstein, N.; Ostrov, D.; Rowe, T.; Law, M.; Barrett, A.;Aslanidi,G.; Cress, W.D.; Law, B. (2009)  “A Novel Class of Cyclin-dependent Kinase Inhibitors Identified by Molecular Docking Act through a Unique Mechanism” J. Biol. Chem. 284, 29945-29955.

Horenstein, N. A.; Leonik, F. M.; Papke, R. L. (2008)  “Multiple pharmacophores for the selective activation of nicotinic a7-type acetylcholine receptors”  Mol. Pharm. 74, 1496-1511.

Leonik, F.M., Papke, R.L., Horenstein, N.A (2007)  ”Quinuclidines as selective agonists for alpha-7 nicotinic acetylcholine receptors” Bioorg. Med. Chem. Lett. 17, 1520-1522.

Horenstein, N.A.; McCormack, T.J.; Stokes C.; Ren, K.; Papke, R.L. (2007)  “Reversal of agonist selectivity by mutations of conserved amino acids in the binding site of nicotinic acetylcholine receptors” J. Biol. Chem. 282, 5899-5909.

Horenstein NA (2006) ”Mechanisms for nucleophilic aliphatic substitution at glycosides.”Adv. Phys. Org. Chem. 41, 275-314.

Sun, H.; Abboud, K.A., Horenstein, N.A. (2005)  “A new route into hexahydro-cyclopenta[b]pyrrole-cis-3a,6-diols. Synthesis of constrained bicyclic analogues of pyrrolidine azasugars.” Tetrahedron, 61 10462-10469.

Papke, R.L.; Zheng, G.R.; Horenstein, N.A.; Dwoskin, L.P. and Crooks, P.A. (2005)  “The characterization of a novel rigid nicotine analog with alpha 7-selective nAChR agonist activity and modulation of agonist properties by boron inclusion” Bioorg. Med. Chem. Lett. 15, 3874-3880.

Papke, R.L., Buhr, J.D., Francis, M.M., Choi, K.I., Thinschmidt, J.S., Horenstein, N.A. (2005)  “The effects of subunit composition on the inhibition of nicotinic receptors by the amphipathic blocker 2,2,6,6-tetramethylpiperidin-4-yl heptanoate.” Mol. Pharm. 67, 1977-1990.

Papke, R.L.; Schiff, H.C.; Jack, B.A. and Horenstein, N.A. (2005)  “Molecular dissection of tropesitron, an alpha7 nicotinic acetylcholine receptor-selective partial agonist” Neuroscience Lett. 378 ,140-144.

Young, J.E.P. and Horenstein, N.A. (2004)  “Synthesis of endo-(3-Azabicyclo[3.1.0]hex-6-yl)-methanol and Derivatives as New Geometric/Charge Mimics of Glycosyltransfer Transition States” Tet. Lett. 45, 9505-9507.

Burke, E. and Horenstein, N.A. (2004)  “Enzymatic Synthesis of [1-14C-N-acetyl, P18O2] Cytidine Monophosphate Neuraminic Acid” J. Label. Compd. Radiopharm. 47, 1007-1017.

Stokes, C.; Papke, J.K.P.; Horenstein, N.A.; Kem, W.R.; McCormack, T.J. and Papke, R.L. (2004)  “The structural basis for GTS-21 selectivity between human and rat nicotinic alpha 7 receptors” Mol. Pharm., 66(1), 14-24.

Papke, R.L.; Meyer, E.M.; Lavieri, S.; Bollampally, S.R.; Papke, T.A.S.; Horenstein, N.A.; Itoh, Y. and Papke, J.K.P. (2004)  “Effects at a distance in alpha 7 nAChR selective agonists: benzylidene substitutions that regulate potency and efficacy” Neuropharm. 46, 1023-1038.

Horenstein, B.A.; Bruner, M. (2002)  “Characterization of ∝(2–>6)-sialyltransferase reaction intermediates: Use of alternative substrates to unmask kinetic isotope effects. Meth. Enzymol., 354, 159-168.

Bruner, M.; Yang, J.; Horenstein, B.A. (2002)  “Mechanistic variation in the glycosyltransfer of N-acetylneuraminic acid” Nukleonika 47, S25-S28.

Sun, H.; , Yang, J.; Amaral, K.E. and Horenstein, B.A. (2001)  “Synthesis of a New Transition-State Analog of the Sialyl Donor. Inhibition of Sialyltransferases” Tet. Lett. 42 2451-2453.

Papke, R.L.; Horenstein, B.A.; Placzek, A.N. (2001) “Inhibition of wild-type and mutant neuronal nicotinic acetylcholine receptors by local anesthetics” Mol. Pharm., 60, 1365-1374.

Sun, H.; Yang, J.; Millar, K. & Horenstein, B.A. (2000)  ” A new asymmetric route to substituted piperidines: synthesis of N-alkyl-3,4-dihydroxy-5-alkylpiperidines” Tetrahedron Letters, 41, 2801-2804.

Yang, J.; Schenkman, S.; Horenstein, B.A. (2000)  ” Primary 13C and b-secondary 2H KIEs for Trans-sialidase. A snapshot of nucleophilic participation during catalysis.” Biochemistry, 39, 5902-5910.

Bruner, M. & Horenstein, B.A. (2000)  “Use of an altered sugar-nucleotide to unmask the transition state for ∝(2–>6)sialyltransferase” Biochemistry 39 2261-2268.

Webster, J.C.; Francis, M.M.; Porter, J.K.; Robinson, G.; Stokes, C.; Horenstein, B.A. & Papke, R.L. (1999)  “Antagonist activities of mecamylamine and nicotine show reciprocal dependence on beta subunit sequence in the second transmembrane domain” Brit. J. Pharm. 127 1337-1348.

Horenstein, B.A. (1999) “Transition states for N-acetylneuraminic acid glycosyltransfer ACS Sym. Ser. #721, Truhlar, D. and Morokuma, K. Eds. pp 411-423.

Francis, M.M., Choi, K.I., Horenstein, B.A., and Papke, R.L. (1998)  “Sensitivity to voltage-independent inhibition determined by the pore-lining region of ACh receptor” Biophysical J. 74, 2306-2317.

Horenstein, B.A.; Bruner, M. (1998)  “The Sialyl Oxocarbenium Ion Has a Finite Lifetime in the Presence of Anionic Nucleophiles. Chemical Evidence for the Intermediacy of Enzyme Bound Glycosyl Oxocarbenium Ion Intermediates ” J. Am. Chem. Soc. 120, 1357-1362.

Bruner, M.; Horenstein, B.A. (1998)  “Isotope Trapping and Kinetic Isotope Effect Studies of Rat Liver a(2à6) Sialyltransferase ” Biochemistry, 37, 289-297.

Parr, I.B.; Horenstein, B.A. (1997)  “New Electronic Analogs of the Sialyl Cation: N-functionalized 4-Acetamido-3,5-dihydroxypiperidines. Inhibition of Bacterial Sialidases. “J. Org. Chem. 62, 7489-7494.

Horenstein, B. A. (1997)  “Quantum-Mechanical Analysis of an Alpha-Carboxylate-Substituted Oxocarbenium Ion. Isotope Effects for Formation of the Sialyl Cation and the Origin of an Unusually Large Secondary C-14 Isotope Effect. “J. Am. Chem. Soc. 119, 1101-1107.

Abboud, K. A.; Parr, I. B.; Horenstein, B. A. (1997)  “3-Acetamido-5-O-Acetyl-1,2-O-Isopropylidene-D-Ribofuranose “Acta Cryst. C 53 245-247.

Abboud, K. A.; Toporek, S. S.; Horenstein, B. A. (1997)  “2,3-Di-O-Benzoyl-1-O-p-Nitrophenyl-6-O-Pivaloyl-4-O-(3′,4′,6′-Tri-O-Acetyl-2′-Deoxy-2′-N-Phthalimido-Beta-D-1′-Glucopyranosyl)-Beta-D-Glucopyranose” Acta Cryst. C 53 742-744

Abboud, K. A.; Toporek, S. S.; Horenstein, B. A. (1997)  “p-Nitrophenyl 2,3,4,6-Tetra-O-Acetyl-Beta-D-Glucopyranoside”Acta Cryst. C 53 118-120

Horenstein, B. A.; Bruner, M. (1996)  “Acid-Catalyzed Solvolysis of CMP-N-Acetyl Neuraminate. Evidence for a Sialyl Cation With a Finite Lifetime.” J. Am. Chem. Soc., 118, 10371-10379.

Schramm, V. L.; Horenstein, B. A.; Bagdassarian, C. K.; Schwartz, S. D.; Berti, P. J.; Rising, K. A.; Scheuring, J.; Kline, P. C.; Parkin, D. W.; Merkler, D. J.; (1996)  “Enzymatic Transition-States and Inhibitor Design from Principles of Classical and Quantum Chemistry” Int. J. Quant.Chem. 60, 81-89.

Boutellier, M.; Ganem, B.; Horenstein, B. A.; Schramm, V. L. (1995)  “Design and Preparation of D-Ribofuranoamidrazones as Inhibitors of Nucleoside Processing Enzymes” Synlett, 510-512.

Schramm, V.L.; Horenstein, B.A.; Kline, P.C. (1994)  “Transition State Analysis and   Inhibitor Design for Enzymic Reactions” J. Biol. Chem., 269 18259-18262.

Boutellier, M.; Horenstein, B.A.; Semenyaka, A.; Schramm V.L.; Ganem B. (1994)  “Amidrazone Analogs of D-Ribofuranose as Transition-State Inhibitors of Nucleoside Hydrolase.” Biochemistry, 33, 3994-4000.

Horenstein, B.A.; Zabinski, R.F.; Schramm, V.L. (1993) “A New Class Of C-Nucleoside Analogs. 1-(S)-Aryl-1,4-Dideoxy-1,4-Imino-D-Ribitols, Transition State Analog Inhibitors of Nucleoside Hydrolase.” Tet. Lett., 34, 7213-7216.

Horenstein, B.A.; Schramm, V. L.(1993) “Correlation Of The Molecular Electrostatic Potential Surface Of An Enzymic Transition State With Novel Transition-State Inhibitors”Biochemistry, 32, 9917-9925.

Horenstein, B. A.; Schramm, V. L. (1993) “Electronic Nature of the Transition State for Nucleoside Hydrolase. A Blueprint for Inhibitor Design” Biochemistry, 32, 7089-7097.

Horenstein, B. A.; Parkin, D. W.; Estupinan, B.; Schramm, V. L. (1991) “Transition-State Analysis of Nucleoside Hydrolase from Crithidia fasciculata.”Biochemistry, 30, 10788-10795.

Parkin, D. W.; Horenstein, B. A.; Abdulah, D. R.; Estupinan, B.; Schramm, V. L. (1991) “Nucleoside Hydrolase From Crithidia fasciculata. Metabolic Role, Purification, Specificity, And Kinetic Mechanism” J. Biol. Chem., 266, 20658-20665.

Parkin, D. W.; Mentch, F.; Banks, G. A.; Horenstein, B. A.; Schramm, V. L. (1991) “Transition-State Analysis of a Vmax Mutant of AMP Nucleosidase by the Application of Heavy-Atom Kinetic Isotope Effects” Biochemistry, 30, 4586-4594.

Smith, M. J.; Kim, D; Horenstein, B.; Nakanishi, K.; Kustin, K.(1991) “Unraveling the Chemistry of Tunichrome” Acc. Chem. Res., 24, 117-124.

Kim, D.; Li, Y.; Horenstein, B. A.; Nakanishi, K. (1990) “Synthesis of Tunichromes Mm-1 and Mm-2, Blood Pigments of the Iron-Assimilating Tunicate, Molgula manhattensis. Tet. Lett., 31, 7119-7122.

Horenstein, B. A.; Nakanishi, K. (1989) “Synthesis of Unprotected (±)-Tunichrome An-1, A Tunicate Blood Pigment.”J. Am. Chem. Soc., 111, 6242-6246.

Tanis, S. P.; Horenstein, B. A.; Scheffer, R.P.; Rasmussen, J. B. (1986) “A New Host Specific Toxin from Helminthosporium carbonum”Heterocycles, 24, 3423-3431.

LaLonde, R. T.; Florence, R. A.; Horenstein, B. A.; Fritz, R. C.; Silveira, L.; Clardy, J.; Krishnan, B. S. (1985) “Variable Reaction Pathways for the Action of Polysulfide on Michael Acceptors”J. Org. Chem., 50, 85-91.

LaLonde, R.T.; Horenstein, B.A.; Schwendler, K.; Fritz, R. C.; Florence, R. A.; Ekiel, I.; Smith, I. C. P. (1983) “Formation of 2,4-diaroyl-3,5-diarylthiolanes from Chalcones and Polysulfide. Scope, Conditions, and the Thiolane NMR.”J. Org. Chem., 48, 4049-4052.