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Items: 1 to 50 of 102

1.

Wheldone: Characterization of a Unique Scaffold from the Coculture of Aspergillus fischeri and Xylaria flabelliformis.

Knowles SL, Raja HA, Isawi IH, Flores-Bocanegra L, Reggio PH, Pearce CJ, Burdette JE, Rokas A, Oberlies NH.

Org Lett. 2020 Mar 6;22(5):1878-1882. doi: 10.1021/acs.orglett.0c00219. Epub 2020 Feb 25.

PMID:
32096649
2.

The Nucleotide-Free State of the Cannabinoid CB2/Gi Complex.

Lynch DL, Hurst DP, Reggio PH.

Cell. 2020 Feb 20;180(4):603-604. doi: 10.1016/j.cell.2020.01.034.

PMID:
32084338
3.

GPR6 Structural Insights: Homology Model Construction and Docking Studies.

Isawi IH, Morales P, Sotudeh N, Hurst DP, Lynch DL, Reggio PH.

Molecules. 2020 Feb 7;25(3). pii: E725. doi: 10.3390/molecules25030725.

4.

Application of Fluorine- and Nitrogen-Walk Approaches: Defining the Structural and Functional Diversity of 2-Phenylindole Class of Cannabinoid 1 Receptor Positive Allosteric Modulators.

Garai S, Kulkarni PM, Schaffer PC, Leo LM, Brandt AL, Zagzoog A, Black T, Lin X, Hurst DP, Janero DR, Abood ME, Zimmowitch A, Straiker A, Pertwee RG, Kelly M, Szczesniak AM, Denovan-Wright EM, Mackie K, Hohmann AG, Reggio PH, Laprairie RB, Thakur GA.

J Med Chem. 2020 Jan 23;63(2):542-568. doi: 10.1021/acs.jmedchem.9b01142. Epub 2020 Jan 3.

PMID:
31756109
5.

Identification of CB1 Receptor Allosteric Sites Using Force-Biased MMC Simulated Annealing and Validation by Structure-Activity Relationship Studies.

Hurst DP, Garai S, Kulkarni PM, Schaffer PC, Reggio PH, Thakur GA.

ACS Med Chem Lett. 2019 Jul 10;10(8):1216-1221. doi: 10.1021/acsmedchemlett.9b00256. eCollection 2019 Aug 8.

PMID:
31413808
6.

Accelerating Membrane Simulations with Hydrogen Mass Repartitioning.

Balusek C, Hwang H, Lau CH, Lundquist K, Hazel A, Pavlova A, Lynch DL, Reggio PH, Wang Y, Gumbart JC.

J Chem Theory Comput. 2019 Aug 13;15(8):4673-4686. doi: 10.1021/acs.jctc.9b00160. Epub 2019 Jul 2.

PMID:
31265271
7.

CBD: A New Hope?

Morales P, Reggio PH.

ACS Med Chem Lett. 2019 Apr 29;10(5):694-695. doi: 10.1021/acsmedchemlett.9b00127. eCollection 2019 May 9.

PMID:
31097982
8.

Towards A Molecular Understanding of The Cannabinoid Related Orphan Receptor GPR18: A Focus on Its Constitutive Activity.

Sotudeh N, Morales P, Hurst DP, Lynch DL, Reggio PH.

Int J Mol Sci. 2019 May 9;20(9). pii: E2300. doi: 10.3390/ijms20092300.

9.

Structural Insights into CB1 Receptor Biased Signaling.

Al-Zoubi R, Morales P, Reggio PH.

Int J Mol Sci. 2019 Apr 13;20(8). pii: E1837. doi: 10.3390/ijms20081837. Review.

10.

Cannabinoid Ligands Targeting TRP Channels.

Muller C, Morales P, Reggio PH.

Front Mol Neurosci. 2019 Jan 15;11:487. doi: 10.3389/fnmol.2018.00487. eCollection 2018. Review.

11.

Synthesis, Pharmacological Evaluation, and Docking Studies of Novel Pyridazinone-Based Cannabinoid Receptor Type 2 Ligands.

Ragusa G, Bencivenni S, Morales P, Callaway T, Hurst DP, Asproni B, Merighi S, Loriga G, Pinna GA, Reggio PH, Gessi S, Murineddu G.

ChemMedChem. 2018 Jun 6;13(11):1102-1114. doi: 10.1002/cmdc.201800152. Epub 2018 Apr 16.

PMID:
29575721
12.

GPCRs Moonlighting as Scramblases: Mechanism Revealed.

Reggio PH.

Structure. 2018 Feb 6;26(2):184-186. doi: 10.1016/j.str.2018.01.014.

13.

Towards a better understanding of the cannabinoid-related orphan receptors GPR3, GPR6, and GPR12.

Morales P, Isawi I, Reggio PH.

Drug Metab Rev. 2018 Feb;50(1):74-93. doi: 10.1080/03602532.2018.1428616. Epub 2018 Feb 1. Review.

14.

An Update on Non-CB1, Non-CB2 Cannabinoid Related G-Protein-Coupled Receptors.

Morales P, Reggio PH.

Cannabis Cannabinoid Res. 2017 Oct 1;2(1):265-273. doi: 10.1089/can.2017.0036. eCollection 2017. Review.

15.

Molecular Dynamics Methodologies for Probing Cannabinoid Ligand/Receptor Interaction.

Lynch DL, Hurst DP, Shore DM, Pitman MC, Reggio PH.

Methods Enzymol. 2017;593:449-490. doi: 10.1016/bs.mie.2017.05.004. Epub 2017 Jul 4.

16.

Methods for the Development of In Silico GPCR Models.

Morales P, Hurst DP, Reggio PH.

Methods Enzymol. 2017;593:405-448. doi: 10.1016/bs.mie.2017.05.005. Epub 2017 Jul 14.

17.

Metabolic Profiling of CB1 Neutral Antagonists.

Seltzman HH, Maitra R, Bortoff K, Henson J, Reggio PH, Wesley D, Tam J.

Methods Enzymol. 2017;593:199-215. doi: 10.1016/bs.mie.2017.06.025. Epub 2017 Jul 10.

18.

An Overview on Medicinal Chemistry of Synthetic and Natural Derivatives of Cannabidiol.

Morales P, Reggio PH, Jagerovic N.

Front Pharmacol. 2017 Jun 28;8:422. doi: 10.3389/fphar.2017.00422. eCollection 2017. Review.

19.

Design, synthesis and biological evaluation of GPR55 agonists.

Fakhouri L, Cook CD, Al-Huniti MH, Console-Bram LM, Hurst DP, Spano MBS, Nasrallah DJ, Caron MG, Barak LS, Reggio PH, Abood ME, Croatt MP.

Bioorg Med Chem. 2017 Aug 15;25(16):4355-4367. doi: 10.1016/j.bmc.2017.06.016. Epub 2017 Jun 13.

20.

Molecular Targets of the Phytocannabinoids: A Complex Picture.

Morales P, Hurst DP, Reggio PH.

Prog Chem Org Nat Prod. 2017;103:103-131. doi: 10.1007/978-3-319-45541-9_4. Review.

21.

Identification of Crucial Amino Acid Residues Involved in Agonist Signaling at the GPR55 Receptor.

Lingerfelt MA, Zhao P, Sharir HP, Hurst DP, Reggio PH, Abood ME.

Biochemistry. 2017 Jan 24;56(3):473-486. doi: 10.1021/acs.biochem.6b01013. Epub 2017 Jan 11.

22.

Structure-activity relationships of benzothiazole GPR35 antagonists.

Abdalhameed MM, Zhao P, Hurst DP, Reggio PH, Abood ME, Croatt MP.

Bioorg Med Chem Lett. 2017 Feb 1;27(3):612-615. doi: 10.1016/j.bmcl.2016.12.012. Epub 2016 Dec 5.

23.

A dual substrate kinetic model for cytochrome P450BM3-F87G catalysis: simultaneous binding of long chain aldehydes and 4-fluorophenol.

Ledford C, McMahon M, Whitesell A, Khan G, Kandagatla SK, Hurst DP, Reggio PH, Raner GM.

Biotechnol Lett. 2017 Feb;39(2):311-321. doi: 10.1007/s10529-016-2252-7. Epub 2016 Nov 18.

PMID:
27864654
24.

Chromenopyrazole, a Versatile Cannabinoid Scaffold with in Vivo Activity in a Model of Multiple Sclerosis.

Morales P, Gómez-Cañas M, Navarro G, Hurst DP, Carrillo-Salinas FJ, Lagartera L, Pazos R, Goya P, Reggio PH, Guaza C, Franco R, Fernández-Ruiz J, Jagerovic N.

J Med Chem. 2016 Jul 28;59(14):6753-6771. doi: 10.1021/acs.jmedchem.6b00397. Epub 2016 Jul 6.

25.

Mapping Cannabinoid 1 Receptor Allosteric Site(s): Critical Molecular Determinant and Signaling Profile of GAT100, a Novel, Potent, and Irreversibly Binding Probe.

Laprairie RB, Kulkarni AR, Kulkarni PM, Hurst DP, Lynch D, Reggio PH, Janero DR, Pertwee RG, Stevenson LA, Kelly ME, Denovan-Wright EM, Thakur GA.

ACS Chem Neurosci. 2016 Jun 15;7(6):776-98. doi: 10.1021/acschemneuro.6b00041. Epub 2016 Apr 25.

26.

One for the Price of Two…Are Bivalent Ligands Targeting Cannabinoid Receptor Dimers Capable of Simultaneously Binding to both Receptors?

Glass M, Govindpani K, Furkert DP, Hurst DP, Reggio PH, Flanagan JU.

Trends Pharmacol Sci. 2016 May;37(5):353-363. doi: 10.1016/j.tips.2016.01.010. Epub 2016 Feb 22. Review.

PMID:
26917061
27.

Design, synthesis, and analysis of antagonists of GPR55: Piperidine-substituted 1,3,4-oxadiazol-2-ones.

Meza-Aviña ME, Lingerfelt MA, Console-Bram LM, Gamage TF, Sharir H, Gettys KE, Hurst DP, Kotsikorou E, Shore DM, Caron MG, Rao N, Barak LS, Abood ME, Reggio PH, Croatt MP.

Bioorg Med Chem Lett. 2016 Apr 1;26(7):1827-1830. doi: 10.1016/j.bmcl.2016.02.030. Epub 2016 Feb 16.

28.

Isolation, semisynthesis, covalent docking and transforming growth factor beta-activated kinase 1 (TAK1)-inhibitory activities of (5Z)-7-oxozeaenol analogues.

Fakhouri L, El-Elimat T, Hurst DP, Reggio PH, Pearce CJ, Oberlies NH, Croatt MP.

Bioorg Med Chem. 2015 Nov 1;23(21):6993-9. doi: 10.1016/j.bmc.2015.09.037. Epub 2015 Sep 25.

29.

Enhanced Functional Activity of the Cannabinoid Type-1 Receptor Mediates Adolescent Behavior.

Schneider M, Kasanetz F, Lynch DL, Friemel CM, Lassalle O, Hurst DP, Steindel F, Monory K, Schäfer C, Miederer I, Leweke FM, Schreckenberger M, Lutz B, Reggio PH, Manzoni OJ, Spanagel R.

J Neurosci. 2015 Oct 14;35(41):13975-88. doi: 10.1523/JNEUROSCI.1937-15.2015.

30.

Synthesis, pharmacological evaluation and docking studies of pyrrole structure-based CB2 receptor antagonists.

Ragusa G, Gómez-Cañas M, Morales P, Hurst DP, Deligia F, Pazos R, Pinna GA, Fernández-Ruiz J, Goya P, Reggio PH, Jagerovic N, García-Arencibia M, Murineddu G.

Eur J Med Chem. 2015 Aug 28;101:651-67. doi: 10.1016/j.ejmech.2015.06.057. Epub 2015 Jul 15.

PMID:
26209834
31.

Molecular-interaction and signaling profiles of AM3677, a novel covalent agonist selective for the cannabinoid 1 receptor.

Janero DR, Yaddanapudi S, Zvonok N, Subramanian KV, Shukla VG, Stahl E, Zhou L, Hurst D, Wager-Miller J, Bohn LM, Reggio PH, Mackie K, Makriyannis A.

ACS Chem Neurosci. 2015 Aug 19;6(8):1400-10. doi: 10.1021/acschemneuro.5b00090. Epub 2015 May 29.

32.

The therapeutic potential of orphan GPCRs, GPR35 and GPR55.

Shore DM, Reggio PH.

Front Pharmacol. 2015 Apr 15;6:69. doi: 10.3389/fphar.2015.00069. eCollection 2015. Review.

33.

Probing the carboxyester side chain in controlled deactivation (-)-δ(8)-tetrahydrocannabinols.

Nikas SP, Sharma R, Paronis CA, Kulkarni S, Thakur GA, Hurst D, Wood JT, Gifford RS, Rajarshi G, Liu Y, Raghav JG, Guo JJ, Järbe TU, Reggio PH, Bergman J, Makriyannis A.

J Med Chem. 2015 Jan 22;58(2):665-81. doi: 10.1021/jm501165d. Epub 2014 Dec 16.

34.

(4-(Bis(4-fluorophenyl)methyl)piperazin-1-yl)(cyclohexyl)methanone hydrochloride (LDK1229): a new cannabinoid CB1 receptor inverse agonist from the class of benzhydryl piperazine analogs.

Mahmoud MM, Olszewska T, Liu H, Shore DM, Hurst DP, Reggio PH, Lu D, Kendall DA.

Mol Pharmacol. 2015 Feb;87(2):197-206. doi: 10.1124/mol.114.095471. Epub 2014 Nov 19.

35.

CB2-selective cannabinoid receptor ligands: synthesis, pharmacological evaluation, and molecular modeling investigation of 1,8-Naphthyridin-2(1H)-one-3-carboxamides.

Lucchesi V, Hurst DP, Shore DM, Bertini S, Ehrmann BM, Allarà M, Lawrence L, Ligresti A, Minutolo F, Saccomanni G, Sharir H, Macchia M, Di Marzo V, Abood ME, Reggio PH, Manera C.

J Med Chem. 2014 Nov 13;57(21):8777-91. doi: 10.1021/jm500807e. Epub 2014 Oct 15.

36.

Structural basis of G protein-coupled receptor-Gi protein interaction: formation of the cannabinoid CB2 receptor-Gi protein complex.

Mnpotra JS, Qiao Z, Cai J, Lynch DL, Grossfield A, Leioatts N, Hurst DP, Pitman MC, Song ZH, Reggio PH.

J Biol Chem. 2014 Jul 18;289(29):20259-72. doi: 10.1074/jbc.M113.539916. Epub 2014 May 22.

37.

Pregnenolone can protect the brain from cannabis intoxication.

Vallée M, Vitiello S, Bellocchio L, Hébert-Chatelain E, Monlezun S, Martin-Garcia E, Kasanetz F, Baillie GL, Panin F, Cathala A, Roullot-Lacarrière V, Fabre S, Hurst DP, Lynch DL, Shore DM, Deroche-Gamonet V, Spampinato U, Revest JM, Maldonado R, Reggio PH, Ross RA, Marsicano G, Piazza PV.

Science. 2014 Jan 3;343(6166):94-8. doi: 10.1126/science.1243985. Erratum in: Science. 2014 Feb 28;343(6174):969.

38.

Allosteric modulation of a cannabinoid G protein-coupled receptor: binding site elucidation and relationship to G protein signaling.

Shore DM, Baillie GL, Hurst DH, Navas F 3rd, Seltzman HH, Marcu JP, Abood ME, Ross RA, Reggio PH.

J Biol Chem. 2014 Feb 28;289(9):5828-45. doi: 10.1074/jbc.M113.478495. Epub 2013 Dec 23.

39.

Crucial positively charged residues for ligand activation of the GPR35 receptor.

Zhao P, Lane TR, Gao HG, Hurst DP, Kotsikorou E, Le L, Brailoiu E, Reggio PH, Abood ME.

J Biol Chem. 2014 Feb 7;289(6):3625-38. doi: 10.1074/jbc.M113.508382. Epub 2013 Dec 17.

40.

Identification of the GPR55 antagonist binding site using a novel set of high-potency GPR55 selective ligands.

Kotsikorou E, Sharir H, Shore DM, Hurst DP, Lynch DL, Madrigal KE, Heynen-Genel S, Milan LB, Chung TD, Seltzman HH, Bai Y, Caron MG, Barak LS, Croatt MP, Abood ME, Reggio PH.

Biochemistry. 2013 Dec 31;52(52):9456-69. doi: 10.1021/bi4008885. Epub 2013 Dec 17.

41.

Global fold of human cannabinoid type 2 receptor probed by solid-state 13C-, 15N-MAS NMR and molecular dynamics simulations.

Kimura T, Vukoti K, Lynch DL, Hurst DP, Grossfield A, Pitman MC, Reggio PH, Yeliseev AA, Gawrisch K.

Proteins. 2014 Mar;82(3):452-65. doi: 10.1002/prot.24411. Epub 2013 Oct 17.

42.

The importance of hydrogen bonding and aromatic stacking to the affinity and efficacy of cannabinoid receptor CB2 antagonist, 5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]-N-[(1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]hept-2-yl]-1H-pyrazole-3-carboxamide (SR144528).

Kotsikorou E, Navas F 3rd, Roche MJ, Gilliam AF, Thomas BF, Seltzman HH, Kumar P, Song ZH, Hurst DP, Lynch DL, Reggio PH.

J Med Chem. 2013 Sep 12;56(17):6593-612. doi: 10.1021/jm400070u. Epub 2013 Aug 14.

43.

Opioid receptors: toward separation of analgesic from undesirable effects.

Law PY, Reggio PH, Loh HH.

Trends Biochem Sci. 2013 Jun;38(6):275-82. doi: 10.1016/j.tibs.2013.03.003. Epub 2013 Apr 16. Review.

44.

Endogenous lipid activated G protein-coupled receptors: emerging structural features from crystallography and molecular dynamics simulations.

Hurst DP, Schmeisser M, Reggio PH.

Chem Phys Lipids. 2013 Apr;169:46-56. doi: 10.1016/j.chemphyslip.2013.01.009. Epub 2013 Feb 26. Review.

45.

Novel insights into CB1 cannabinoid receptor signaling: a key interaction identified between the extracellular-3 loop and transmembrane helix 2.

Marcu J, Shore DM, Kapur A, Trznadel M, Makriyannis A, Reggio PH, Abood ME.

J Pharmacol Exp Ther. 2013 May;345(2):189-97. doi: 10.1124/jpet.112.201046. Epub 2013 Feb 20.

46.

CB(1) receptor allosteric modulators display both agonist and signaling pathway specificity.

Baillie GL, Horswill JG, Anavi-Goffer S, Reggio PH, Bolognini D, Abood ME, McAllister S, Strange PG, Stephens GJ, Pertwee RG, Ross RA.

Mol Pharmacol. 2013 Feb;83(2):322-38. doi: 10.1124/mol.112.080879. Epub 2012 Nov 15.

47.

Palmitoylation and membrane cholesterol stabilize μ-opioid receptor homodimerization and G protein coupling.

Zheng H, Pearsall EA, Hurst DP, Zhang Y, Chu J, Zhou Y, Reggio PH, Loh HH, Law PY.

BMC Cell Biol. 2012 Mar 19;13:6. doi: 10.1186/1471-2121-13-6.

48.

Chromenopyrazoles: non-psychoactive and selective CB₁ cannabinoid agonists with peripheral antinociceptive properties.

Cumella J, Hernández-Folgado L, Girón R, Sánchez E, Morales P, Hurst DP, Gómez-Cañas M, Gómez-Ruiz M, Pinto DC, Goya P, Reggio PH, Martin MI, Fernández-Ruiz J, Silva AM, Jagerovic N.

ChemMedChem. 2012 Mar 5;7(3):452-63. doi: 10.1002/cmdc.201100568. Epub 2012 Feb 2.

49.

Endocannabinoid tone versus constitutive activity of cannabinoid receptors.

Howlett AC, Reggio PH, Childers SR, Hampson RE, Ulloa NM, Deutsch DG.

Br J Pharmacol. 2011 Aug;163(7):1329-43. doi: 10.1111/j.1476-5381.2011.01364.x. Review.

50.

Identification of the GPR55 agonist binding site using a novel set of high-potency GPR55 selective ligands.

Kotsikorou E, Madrigal KE, Hurst DP, Sharir H, Lynch DL, Heynen-Genel S, Milan LB, Chung TD, Seltzman HH, Bai Y, Caron MG, Barak L, Abood ME, Reggio PH.

Biochemistry. 2011 Jun 28;50(25):5633-47. doi: 10.1021/bi200010k. Epub 2011 Jun 1.

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