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Recent advances in the targeting of human DNA ligase I as a potential new strategy for cancer treatment.

Saquib M, Ansari MI, Johnson CR, Khatoon S, Kamil Hussain M, Coop A.

Eur J Med Chem. 2019 Nov 15;182:111657. doi: 10.1016/j.ejmech.2019.111657. Epub 2019 Aug 30. Review.


The Effects of Morphine, Baclofen, and Buspirone Alone and in Combination on Schedule-Controlled Responding and Hot Plate Antinociception in Rats.

Wilkerson JL, Felix JS, Restrepo LF, Ansari MI, Coop A, McMahon LR.

J Pharmacol Exp Ther. 2019 Sep;370(3):380-389. doi: 10.1124/jpet.118.255844. Epub 2019 Jun 24.


Tetrabutylammonium Bromide-Promoted Metal-Free, Efficient, Rapid, and Scalable Synthesis of N-Aryl Amines.

Johnson CR, Ansari MI, Coop A.

ACS Omega. 2018 Sep 30;3(9):10886-10890. doi: 10.1021/acsomega.8b01426. Epub 2018 Sep 10.


Synthesis and Structural Elucidation of a Pyranomorphinan Opioid and in Vitro Studies.

Ansari MI, Healy JR, Hom K, Deschamps JR, Matsumoto RR, Coop A.

Org Lett. 2018 May 18;20(10):2984-2987. doi: 10.1021/acs.orglett.8b01025. Epub 2018 May 8.


Benzylideneoxymorphone: A new lead for development of bifunctional mu/delta opioid receptor ligands.

Healy JR, Bezawada P, Griggs NW, Devereaux AL, Matsumoto RR, Traynor JR, Coop A, Cunningham CW.

Bioorg Med Chem Lett. 2017 Feb 1;27(3):666-669. doi: 10.1016/j.bmcl.2016.11.057. Epub 2016 Nov 22.


Conformational Heterogeneity of Intracellular Loop 3 of the μ-opioid G-protein Coupled Receptor.

Huang J, Lakkaraju SK, Coop A, MacKerell AD Jr.

J Phys Chem B. 2016 Nov 23;120(46):11897-11904. Epub 2016 Nov 15.


Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations.

Cavalier MC, Ansari MI, Pierce AD, Wilder PT, McKnight LE, Raman EP, Neau DB, Bezawada P, Alasady MJ, Charpentier TH, Varney KM, Toth EA, MacKerell AD Jr, Coop A, Weber DJ.

J Med Chem. 2016 Jan 28;59(2):592-608. doi: 10.1021/acs.jmedchem.5b01369. Epub 2016 Jan 13.


Exploring pharmacological activities and signaling of morphinans substituted in position 6 as potent agonists interacting with the μ opioid receptor.

Ben Haddou T, Malfacini D, Calo G, Aceto MD, Harris LS, Traynor JR, Coop A, Schmidhammer H, Spetea M.

Mol Pain. 2014 Jul 24;10:48. doi: 10.1186/1744-8069-10-48.


Afference copy as a quantitative neurophysiological model for consciousness.

Cornelis H, Coop AD.

J Integr Neurosci. 2014 Jun;13(2):363-402. doi: 10.1142/S0219635214400020. Epub 2014 Jun 22. Review.


Opioids and efflux transporters. Part 4: influence of N-substitution on P-glycoprotein substrate activity of noroxymorphone analogues.

Metcalf MD, Rosicky AD, Hassan HE, Eddington ND, Coop A, Cunningham CW, Mercer SL.

Bioorg Med Chem Lett. 2014 Aug 1;24(15):3592-5. doi: 10.1016/j.bmcl.2014.05.033. Epub 2014 May 22.


Chlorophenylpiperazine analogues as high affinity dopamine transporter ligands.

Motel WC, Healy JR, Viard E, Pouw B, Martin K, Matsumoto RR, Coop A.

Bioorg Med Chem Lett. 2013 Dec 15;23(24):6920-6922. doi: 10.1016/j.bmcl.2013.09.038. Epub 2013 Oct 15.


Effect of ring-constrained phenylpropyloxyethylamines on sigma receptors.

Stavitskaya L, Seminerio MJ, Healy JR, Noorbakhsh B, Matsumoto RR, Coop A.

Bioorg Med Chem. 2013 Sep 1;21(17):4923-7. doi: 10.1016/j.bmc.2013.06.068. Epub 2013 Jul 11.


Molecular details of the activation of the μ opioid receptor.

Shim J, Coop A, MacKerell AD Jr.

J Phys Chem B. 2013 Jul 3;117(26):7907-17. doi: 10.1021/jp404238n. Epub 2013 Jun 24.


σ Receptor antagonist attenuation of methamphetamine-induced neurotoxicity is correlated to body temperature modulation.

Robson MJ, Seminerio MJ, McCurdy CR, Coop A, Matsumoto RR.

Pharmacol Rep. 2013;65(2):343-9.


Synthesis, modeling, and pharmacological evaluation of UMB 425, a mixed μ agonist/δ antagonist opioid analgesic with reduced tolerance liabilities.

Healy JR, Bezawada P, Shim J, Jones JW, Kane MA, MacKerell AD Jr, Coop A, Matsumoto RR.

ACS Chem Neurosci. 2013 Sep 18;4(9):1256-66. doi: 10.1021/cn4000428. Epub 2013 Jun 11.


Structure-Based Discovery of a Novel Pentamidine-Related Inhibitor of the Calcium-Binding Protein S100B.

McKnight LE, Raman EP, Bezawada P, Kudrimoti S, Wilder PT, Hartman KG, Godoy-Ruiz R, Toth EA, Coop A, Mackerell AD Jr, Weber DJ.

ACS Med Chem Lett. 2012 Dec 13;3(12):975-979. Epub 2012 Sep 25.


Cholinergic modulation by opioid receptor ligands: potential application to Alzheimer's disease.

Motel WC, Coop A, Cunningham CW.

Mini Rev Med Chem. 2013 Mar;13(3):456-66. Review.


Deconstructing 14-phenylpropyloxymetopon: minimal requirements for binding to mu opioid receptors.

Stavitskaya L, Shim J, Healy JR, Matsumoto RR, MacKerell AD Jr, Coop A.

Bioorg Med Chem. 2012 Jul 15;20(14):4556-63. doi: 10.1016/j.bmc.2012.05.006. Epub 2012 May 11.


Python as a federation tool for GENESIS 3.0.

Cornelis H, Rodriguez AL, Coop AD, Bower JM.

PLoS One. 2012;7(1):e29018. doi: 10.1371/journal.pone.0029018. Epub 2012 Jan 20.


A federated design for a neurobiological simulation engine: the CBI federated software architecture.

Cornelis H, Coop AD, Bower JM.

PLoS One. 2012;7(1):e28956. doi: 10.1371/journal.pone.0028956. Epub 2012 Jan 5.


AC927, a σ receptor ligand, blocks methamphetamine-induced release of dopamine and generation of reactive oxygen species in NG108-15 cells.

Kaushal N, Elliott M, Robson MJ, Iyer AK, Rojanasakul Y, Coop A, Matsumoto RR.

Mol Pharmacol. 2012 Mar;81(3):299-308. doi: 10.1124/mol.111.074120. Epub 2011 Nov 18.


Consensus 3D model of μ-opioid receptor ligand efficacy based on a quantitative Conformationally Sampled Pharmacophore.

Shim J, Coop A, MacKerell AD Jr.

J Phys Chem B. 2011 Jun 9;115(22):7487-96. doi: 10.1021/jp202542g. Epub 2011 May 12.


Effects of the selective sigma receptor ligand, 1-(2-phenethyl)piperidine oxalate (AC927), on the behavioral and toxic effects of cocaine.

Matsumoto RR, Li SM, Katz JL, Fantegrossi WE, Coop A.

Drug Alcohol Depend. 2011 Oct 1;118(1):40-7. doi: 10.1016/j.drugalcdep.2011.02.017. Epub 2011 Mar 21.


In vitro screening and structural characterization of inhibitors of the S100B-p53 interaction.

Wilder PT, Charpentier TH, Liriano MA, Gianni K, Varney KM, Pozharski E, Coop A, Toth EA, Mackerell AD, Weber DJ.

Int J High Throughput Screen. 2010 Jul 7;2010(1):109-126.


Sigma (σ) receptor ligand, AC927 (N-phenethylpiperidine oxalate), attenuates methamphetamine-induced hyperthermia and serotonin damage in mice.

Seminerio MJ, Kaushal N, Shaikh J, Huber JD, Coop A, Matsumoto RR.

Pharmacol Biochem Behav. 2011 Mar;98(1):12-20. doi: 10.1016/j.pbb.2010.11.023. Epub 2010 Dec 2.


Recent advances in ligand-based drug design: relevance and utility of the conformationally sampled pharmacophore approach.

Acharya C, Coop A, Polli JE, Mackerell AD Jr.

Curr Comput Aided Drug Des. 2011 Mar;7(1):10-22. Review.


Dendritic excitability modulates dendritic information processing in a purkinje cell model.

Coop AD, Cornelis H, Santamaria F.

Front Comput Neurosci. 2010 Mar 30;4:6. doi: 10.3389/fncom.2010.00006. eCollection 2010.


A small-molecule inhibitor of BCL6 kills DLBCL cells in vitro and in vivo.

Cerchietti LC, Ghetu AF, Zhu X, Da Silva GF, Zhong S, Matthews M, Bunting KL, Polo JM, Farès C, Arrowsmith CH, Yang SN, Garcia M, Coop A, Mackerell AD Jr, Privé GG, Melnick A.

Cancer Cell. 2010 Apr 13;17(4):400-11. doi: 10.1016/j.ccr.2009.12.050.


The effect of the pyridyl nitrogen position in pyridylpiperazine sigma ligands.

Stavitskaya L, Seminerio MJ, Matthews-Tsourounis MM, Matsumoto RR, Coop A.

Bioorg Med Chem Lett. 2010 Apr 15;20(8):2564-5. doi: 10.1016/j.bmcl.2010.02.087. Epub 2010 Mar 1.


Synthesis and Characterization of a Novel Diels - Alder Adduct of Codeine.

Cunningham CW, Hom K, Acharya C, Wilks A, Mackerell AD Jr, Coop A.

Helv Chim Acta. 2010 Feb;93(2):220-226.


Regulation of gene expression in brain tissues of rats repeatedly treated by the highly abused opioid agonist, oxycodone: microarray profiling and gene mapping analysis.

Hassan HE, Myers AL, Lee IJ, Chen H, Coop A, Eddington ND.

Drug Metab Dispos. 2010 Jan;38(1):157-67. doi: 10.1124/dmd.109.029199.


Evaluation of the P-glycoprotein (Abcb1) affinity status of a series of morphine analogs: comparative study with meperidine analogs to identify opioids with minimal P-glycoprotein interactions.

Hassan HE, Mercer SL, Cunningham CW, Coop A, Eddington ND.

Int J Pharm. 2009 Jun 22;375(1-2):48-54. doi: 10.1016/j.ijpharm.2009.03.037. Epub 2009 Apr 5.


Small molecules bound to unique sites in the target protein binding cleft of calcium-bound S100B as characterized by nuclear magnetic resonance and X-ray crystallography.

Charpentier TH, Wilder PT, Liriano MA, Varney KM, Zhong S, Coop A, Pozharski E, MacKerell AD Jr, Toth EA, Weber DJ.

Biochemistry. 2009 Jul 7;48(26):6202-12. doi: 10.1021/bi9005754.


Optimization of labile esters for esterase-assisted accumulation of nitroxides into cells: a model for in vivo EPR imaging.

Burks SR, Ni J, Muralidharan S, Coop A, Kao JP, Rosen GM.

Bioconjug Chem. 2008 Oct;19(10):2068-71. doi: 10.1021/bc8001562. Epub 2008 Sep 11.


Attenuation of methamphetamine-induced effects through the antagonism of sigma (sigma) receptors: Evidence from in vivo and in vitro studies.

Matsumoto RR, Shaikh J, Wilson LL, Vedam S, Coop A.

Eur Neuropsychopharmacol. 2008 Dec;18(12):871-81. doi: 10.1016/j.euroneuro.2008.07.006. Epub 2008 Aug 27.


Divalent metal ion complexes of S100B in the absence and presence of pentamidine.

Charpentier TH, Wilder PT, Liriano MA, Varney KM, Pozharski E, MacKerell AD Jr, Coop A, Toth EA, Weber DJ.

J Mol Biol. 2008 Sep 26;382(1):56-73. doi: 10.1016/j.jmb.2008.06.047. Epub 2008 Jun 24.


Opioids and efflux transporters. Part 3: P-glycoprotein substrate activity of 3-hydroxyl addition to meperidine analogs.

Mercer SL, Cunningham CW, Eddington ND, Coop A.

Bioorg Med Chem Lett. 2008 Jun 15;18(12):3638-40. doi: 10.1016/j.bmcl.2008.04.046. Epub 2008 Apr 25.


Trifluoromethoxyl substituted phenylethylene diamines as high affinity sigma receptor ligands with potent anti-cocaine actions.

Smith TA, Yang X, Wu H, Pouw B, Matsumoto RR, Coop A.

J Med Chem. 2008 Jun 12;51(11):3322-5. doi: 10.1021/jm7013666. Epub 2008 May 8.


Opioids and efflux transporters. Part 2: P-glycoprotein substrate activity of 3- and 6-substituted morphine analogs.

Cunningham CW, Mercer SL, Hassan HE, Traynor JR, Eddington ND, Coop A.

J Med Chem. 2008 Apr 10;51(7):2316-20. doi: 10.1021/jm701457j. Epub 2008 Feb 27.


Inhibition of protein-protein interactions with low molecular weight compounds.

Matthews MM, Weber DJ, Shapiro PS, Coop A, Mackerell AD Jr.

Curr Trends Med Chem. 2008 Jan 1;5:21-32.


Nitrile analogs of meperidine as high affinity and selective sigma-1 receptor ligands.

Mercer SL, Shaikh J, Traynor JR, Matsumoto RR, Coop A.

Eur J Med Chem. 2008 Jun;43(6):1304-8. Epub 2007 Oct 6.


The influence of esters and carboxylic acids as the N-substituent of opioids. Part 1: Benzomorphans.

Metcalf MD, Aceto MD, Harris LS, Woods JH, Traynor JR, Coop A, May EL.

Bioorg Med Chem. 2008 Jan 15;16(2):869-73. Epub 2007 Oct 13.


5'-halogenated analogs of oxymorphindole.

Metcalf MD, Coop A.

Bioorg Med Chem Lett. 2007 Nov 1;17(21):5916-7. Epub 2007 Aug 23.


3-Hydroxy-4-methoxyindolomorphinans as delta opioid selective ligands.

Smith TA, Thatcher LN, Coop A.

Bioorg Med Chem Lett. 2007 Sep 15;17(18):5175-6. Epub 2007 Jul 4.


MDMA-like behavioral effects of N-substituted piperazines in the mouse.

Yarosh HL, Katz EB, Coop A, Fantegrossi WE.

Pharmacol Biochem Behav. 2007 Nov;88(1):18-27. Epub 2007 Jul 6.


Probes for narcotic receptor mediated phenomena. 34. Synthesis and structure-activity relationships of a potent mu-agonist delta-antagonist and an exceedingly potent antinociceptive in the enantiomeric C9-substituted 5-(3-hydroxyphenyl)-N-phenylethylmorphan series.

Hiebel AC, Lee YS, Bilsky E, Giuvelis D, Deschamps JR, Parrish DA, Aceto MD, May EL, Harris LS, Coop A, Dersch CM, Partilla JS, Rothman RB, Cheng K, Jacobson AE, Rice KC.

J Med Chem. 2007 Aug 9;50(16):3765-76. Epub 2007 Jul 11.


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